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Chemical ID: 5244778

Chemical ID:

5244778

Name [?]:

methyl 1-[(2-methoxycarbonylpyrrolidin-1-yl)carbonylformyl]pyrrolidine-2-carboxylate

SMILES [?]:

COC(=O)C1CCCN1C(=O)C(=O)N2CCCC2C(=O)OC

InChi [?]:

InChI=1/C14H20N2O6/c1-21-13(19)9-5-3-7-15(9)11(17)12(18)16-8-4-6-10(16)14(20)22-2/h9-10H,3-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,7,16,6,17,8,15,5,18,10,12,3,19,9,14,11,13,4,20,2,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22cCOCOCCCCNCOCONCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;d12;s12;s14;s15;s16;s14s17;s18;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₂O₆
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	8.38323
Area:	498.642
Solvation:	-4.08284
Coulombic:	-75.1397

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	312.318
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	-0.2
LogP (Chemaxon):	-0.8

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value