1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H20N2O4 — CID 113399340

IUPAC1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)N1CC2CCC(O)C2C1
InChIInChI=1S/C13H20N2O4/c16-10-2-1-8-5-15(6-9(8)10)12(19)14-7-13(3-4-13)11(17)18/h8-10,16H,1-7H2,(H,14,19)(H,17,18)
InChIKeyKGIRPUZNJUTQHA-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.26
Rot. Bonds3

About 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113399340) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113399340
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)N1CC2CCC(O)C2C1
InChIInChI=1S/C13H20N2O4/c16-10-2-1-8-5-15(6-9(8)10)12(19)14-7-13(3-4-13)11(17)18/h8-10,16H,1-7H2,(H,14,19)(H,17,18)
InChIKeyKGIRPUZNJUTQHA-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103159865
[1-(aminomethyl)cyclopropyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 104319961
3-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]propanoic acid
CID 104321192
(2R)-2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]propanoic acid
CID 104321198
1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 104321200
5-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]pentanoic acid
CID 104321202
2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104321204
3-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 104321205
2-[1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104321207
3-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 104321208
2-ethyl-2-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 104321209
3-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 104321210

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113399340) is 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)N1CC2CCC(O)C2C1.
What is the InChIKey of 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KGIRPUZNJUTQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-10-2-1-8-5-15(6-9(8)10)12(19)14-7-13(3-4-13)11(17)18/h8-10,16H,1-7H2,(H,14,19)(H,17,18).
What are the key properties of 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113399340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).