1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid

C14H22N2O3 — CID 113335992

IUPAC1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N1CC2CCCC2C1
InChIInChI=1S/C14H22N2O3/c17-12(18)14(5-2-6-14)9-15-13(19)16-7-10-3-1-4-11(10)8-16/h10-11H,1-9H2,(H,15,19)(H,17,18)
InChIKeyUHLNODPEGWJCAC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds3

About 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 113335992) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID113335992
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N1CC2CCCC2C1
InChIInChI=1S/C14H22N2O3/c17-12(18)14(5-2-6-14)9-15-13(19)16-7-10-3-1-4-11(10)8-16/h10-11H,1-9H2,(H,15,19)(H,17,18)
InChIKeyUHLNODPEGWJCAC-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115560963
1-[[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113399340
1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
1-[(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446456
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446802
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-[[(2,6-dimethylthiomorpholine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451682
1-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 103536430
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311291
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid (CID 113335992) is 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)N1CC2CCCC2C1.
What is the InChIKey of 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UHLNODPEGWJCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(18)14(5-2-6-14)9-15-13(19)16-7-10-3-1-4-11(10)8-16/h10-11H,1-9H2,(H,15,19)(H,17,18).
What are the key properties of 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113335992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).