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

C13H22N2O3 — CID 113335954

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CC2CCCC2C1
InChIInChI=1S/C13H22N2O3/c1-9(5-6-12(16)17)14-13(18)15-7-10-3-2-4-11(10)8-15/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyCSXYJURFDCEDOH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds4

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

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid (PubChem CID 113335954) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid
PubChem CID113335954
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CC2CCCC2C1
InChIInChI=1S/C13H22N2O3/c1-9(5-6-12(16)17)14-13(18)15-7-10-3-2-4-11(10)8-15/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyCSXYJURFDCEDOH-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]pentanoic acid
CID 81199689
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)butanedioic acid
CID 115560906
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
(2S,3R)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxybutanoic acid
CID 104966476
4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
CID 65282846
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxypropanoic acid
CID 115560817
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560861
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-amino-5-oxopentanoic acid
CID 115560943
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-2-methylpropanoic acid
CID 115560898
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
CID 82848019
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268

Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid (CID 113335954) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid is CC(CCC(=O)O)NC(=O)N1CC2CCCC2C1.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid?
The InChIKey is CSXYJURFDCEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(5-6-12(16)17)14-13(18)15-7-10-3-2-4-11(10)8-15/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 113335954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).