2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid

C15H24N2O3 — CID 102892216

IUPAC2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1NCC2CCCC21)C1CCCC1
InChIInChI=1S/C15H24N2O3/c18-13(19)9-17(11-5-1-2-6-11)15(20)14-12-7-3-4-10(12)8-16-14/h10-12,14,16H,1-9H2,(H,18,19)
InChIKeyWRWKIJLKIPQCOB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds4

About 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid

2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid (PubChem CID 102892216) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid
PubChem CID102892216
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1NCC2CCCC21)C1CCCC1
InChIInChI=1S/C15H24N2O3/c18-13(19)9-17(11-5-1-2-6-11)15(20)14-12-7-3-4-10(12)8-16-14/h10-12,14,16H,1-9H2,(H,18,19)
InChIKeyWRWKIJLKIPQCOB-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid with MolForge

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891722
3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
CID 102892187
N-cyclohexyl-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890287
N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891689
2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102893318
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890568
N-ethyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890558
2-[cyclopentyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913615
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid?
The IUPAC name of 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid (CID 102892216) is 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid is O=C(O)CN(C(=O)C1NCC2CCCC21)C1CCCC1.
What is the InChIKey of 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid?
The InChIKey is WRWKIJLKIPQCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13(19)9-17(11-5-1-2-6-11)15(20)14-12-7-3-4-10(12)8-16-14/h10-12,14,16H,1-9H2,(H,18,19).
What are the key properties of 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid?
2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid is sourced from PubChem (CID 102892216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).