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

C13H14N2O2 — CID 99996433

IUPAC(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
SMILESCn1c2c(c3cc(N)ccc31)C[C@@H](C(=O)O)C2
InChIInChI=1S/C13H14N2O2/c1-15-11-3-2-8(14)6-10(11)9-4-7(13(16)17)5-12(9)15/h2-3,6-7H,4-5,14H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyUGGZJHPAJYJIQI-SSDOTTSWSA-N
MW230.27 g/mol
LogP1.56
Rot. Bonds1

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

(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid (PubChem CID 99996433) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
PubChem CID99996433
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
SMILESCn1c2c(c3cc(N)ccc31)C[C@@H](C(=O)O)C2
InChIInChI=1S/C13H14N2O2/c1-15-11-3-2-8(14)6-10(11)9-4-7(13(16)17)5-12(9)15/h2-3,6-7H,4-5,14H2,1H3,(H,16,17)/t7-/m1/s1
InChIKeyUGGZJHPAJYJIQI-SSDOTTSWSA-N
XLogP1.56
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
CID 99996425
8-bromo-3,11-dimethyl-2,4,5,6-tetrahydro-1H-azocino[4,5-b]indole-5-carboxylic acid;hydrochloride
CID 146065565
7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
CID 54541909
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate
CID 102568775
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
CID 171367133
9-hydroxycarbazole-3,6-diamine
CID 130354547
9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 84613100
6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
CID 22663976
5-amino-1-methylindazole-3-carboxylic acid
CID 84663060

Frequently Asked Questions

What is the IUPAC name of (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
The IUPAC name of (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid (CID 99996433) is (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid.
What is the SMILES notation for (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
The canonical SMILES for (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid is Cn1c2c(c3cc(N)ccc31)C[C@@H](C(=O)O)C2.
What is the InChIKey of (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
The InChIKey is UGGZJHPAJYJIQI-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-11-3-2-8(14)6-10(11)9-4-7(13(16)17)5-12(9)15/h2-3,6-7H,4-5,14H2,1H3,(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid is sourced from PubChem (CID 99996433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).