7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid

C15H26N2O3 — CID 102892142

IUPAC7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1NCC2CCCC21
InChIInChI=1S/C15H26N2O3/c18-13(19)8-3-1-2-4-9-16-15(20)14-12-7-5-6-11(12)10-17-14/h11-12,14,17H,1-10H2,(H,16,20)(H,18,19)
InChIKeyRRAZUKUDIBNASW-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds8

About 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid

7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid (PubChem CID 102892142) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid
PubChem CID102892142
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1NCC2CCCC21
InChIInChI=1S/C15H26N2O3/c18-13(19)8-3-1-2-4-9-16-15(20)14-12-7-5-6-11(12)10-17-14/h11-12,14,17H,1-10H2,(H,16,20)(H,18,19)
InChIKeyRRAZUKUDIBNASW-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893774
N-(3-cyanopropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892986
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-ethylhexanoic acid
CID 102893159
N-(2-methoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890092
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
N-(2-butoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892280
3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
CID 102892187
N-(2-methylpropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890096
N-(2-methylprop-2-enyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893920
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-[3-(1H-imidazol-2-yl)propyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893830

Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid?
The IUPAC name of 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid (CID 102892142) is 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)C1NCC2CCCC21.
What is the InChIKey of 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid?
The InChIKey is RRAZUKUDIBNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-13(19)8-3-1-2-4-9-16-15(20)14-12-7-5-6-11(12)10-17-14/h11-12,14,17H,1-10H2,(H,16,20)(H,18,19).
What are the key properties of 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid?
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid is sourced from PubChem (CID 102892142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).