6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid

C13H14N2O2 — CID 22663976

IUPAC6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
SMILESNc1ccc2c(c1)c1c(n2C(=O)O)CCCC1
InChIInChI=1S/C13H14N2O2/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)13(16)17/h5-7H,1-4,14H2,(H,16,17)
InChIKeyKDUAPBNFRBNYDM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.63
Rot. Bonds

About 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid

6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid (PubChem CID 22663976) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid.

Molecular Properties

Compound Name6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
PubChem CID22663976
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
SMILESNc1ccc2c(c1)c1c(n2C(=O)O)CCCC1
InChIInChI=1S/C13H14N2O2/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)13(16)17/h5-7H,1-4,14H2,(H,16,17)
InChIKeyKDUAPBNFRBNYDM-UHFFFAOYSA-N
XLogP2.63
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)acetaldehyde
CID 89146062
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 10401684
6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide
CID 10660126
9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 84613100
[[4-[(6-amino-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]-2-bromophenyl]-difluoromethyl]phosphonic acid
CID 143505962
(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 99996433
(2-fluorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
CID 746851
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
CID 166731468
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83948273
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
The IUPAC name of 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid (CID 22663976) is 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid.
What is the SMILES notation for 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
The canonical SMILES for 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid is Nc1ccc2c(c1)c1c(n2C(=O)O)CCCC1.
What is the InChIKey of 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
The InChIKey is KDUAPBNFRBNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)13(16)17/h5-7H,1-4,14H2,(H,16,17).
What are the key properties of 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid?
6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid is sourced from PubChem (CID 22663976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).