4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid

C14H13NO4 — CID 83948273

IUPAC4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
SMILESO=C(O)Cn1c2c(c3cc(C(=O)O)ccc31)CCC2
InChIInChI=1S/C14H13NO4/c16-13(17)7-15-11-3-1-2-9(11)10-6-8(14(18)19)4-5-12(10)15/h4-6H,1-3,7H2,(H,16,17)(H,18,19)
InChIKeyNEPMAFPSRJMRGW-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.91
Rot. Bonds3

About 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid

4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid (PubChem CID 83948273) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
PubChem CID83948273
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
SMILESO=C(O)Cn1c2c(c3cc(C(=O)O)ccc31)CCC2
InChIInChI=1S/C14H13NO4/c16-13(17)7-15-11-3-1-2-9(11)10-6-8(14(18)19)4-5-12(10)15/h4-6H,1-3,7H2,(H,16,17)(H,18,19)
InChIKeyNEPMAFPSRJMRGW-UHFFFAOYSA-N
XLogP1.91
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
9-(carboxymethyl)-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948261
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612310
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
CID 83948271
9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
CID 768661
2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 91054808
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
2-methoxycarbonyl-5-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 112719794
3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502019
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
2-[2-cyclohexyl-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
CID 68590668

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid (CID 83948273) is 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid is O=C(O)Cn1c2c(c3cc(C(=O)O)ccc31)CCC2.
What is the InChIKey of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
The InChIKey is NEPMAFPSRJMRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(17)7-15-11-3-1-2-9(11)10-6-8(14(18)19)4-5-12(10)15/h4-6H,1-3,7H2,(H,16,17)(H,18,19).
What are the key properties of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid?
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid is sourced from PubChem (CID 83948273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).