2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid

C15H16N2O3 — CID 23498614

IUPAC2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cccc2c3c([nH]c12)CCC3)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-8(15(19)20)16-14(18)11-6-2-5-10-9-4-3-7-12(9)17-13(10)11/h2,5-6,8,17H,3-4,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyDDWJTRPXMCRYHY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.86
Rot. Bonds3

About 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid

2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid (PubChem CID 23498614) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
PubChem CID23498614
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cccc2c3c([nH]c12)CCC3)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-8(15(19)20)16-14(18)11-6-2-5-10-9-4-3-7-12(9)17-13(10)11/h2,5-6,8,17H,3-4,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyDDWJTRPXMCRYHY-UHFFFAOYSA-N
XLogP1.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46475540
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
N-methyl-N-[4-(methylamino)-4-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56754565
N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146040309
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 135601205
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid (CID 23498614) is 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid is CC(NC(=O)c1cccc2c3c([nH]c12)CCC3)C(=O)O.
What is the InChIKey of 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid?
The InChIKey is DDWJTRPXMCRYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8(15(19)20)16-14(18)11-6-2-5-10-9-4-3-7-12(9)17-13(10)11/h2,5-6,8,17H,3-4,7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid?
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 23498614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).