(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

C13H14N2O2 — CID 95426173

IUPAC(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SMILESN[C@H]1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
InChIInChI=1S/C13H14N2O2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h1,3,5,8,15H,2,4,6,14H2,(H,16,17)/t8-/m0/s1
InChIKeyQVVPQIHQVPNJQF-QMMMGPOBSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds1

About (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (PubChem CID 95426173) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
PubChem CID95426173
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SMILESN[C@H]1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
InChIInChI=1S/C13H14N2O2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h1,3,5,8,15H,2,4,6,14H2,(H,16,17)/t8-/m0/s1
InChIKeyQVVPQIHQVPNJQF-QMMMGPOBSA-N
XLogP1.68
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The IUPAC name of (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (CID 95426173) is (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.
What is the SMILES notation for (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The canonical SMILES for (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is N[C@H]1CCc2[nH]c3ccc(C(=O)O)cc3c2C1.
What is the InChIKey of (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The InChIKey is QVVPQIHQVPNJQF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h1,3,5,8,15H,2,4,6,14H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is sourced from PubChem (CID 95426173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).