(2S)-2-(carbazole-9-carbonylamino)propanoic acid

C16H14N2O3 — CID 5467240

IUPAC(2S)-2-(carbazole-9-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)n1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C16H14N2O3/c1-10(15(19)20)17-16(21)18-13-8-4-2-6-11(13)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,17,21)(H,19,20)/t10-/m0/s1
InChIKeyOQAXDYJOGFJALA-JTQLQIEISA-N
MW282.30 g/mol
LogP2.83
Rot. Bonds2

About (2S)-2-(carbazole-9-carbonylamino)propanoic acid

(2S)-2-(carbazole-9-carbonylamino)propanoic acid (PubChem CID 5467240) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2S)-2-(carbazole-9-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(carbazole-9-carbonylamino)propanoic acid
PubChem CID5467240
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2S)-2-(carbazole-9-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)n1c2ccccc2c2ccccc21)C(=O)O
InChIInChI=1S/C16H14N2O3/c1-10(15(19)20)17-16(21)18-13-8-4-2-6-11(13)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,17,21)(H,19,20)/t10-/m0/s1
InChIKeyOQAXDYJOGFJALA-JTQLQIEISA-N
XLogP2.83
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(carbazole-9-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbazole-9-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(carbazole-9-carbonylamino)propanoic acid (CID 5467240) is (2S)-2-(carbazole-9-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(carbazole-9-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(carbazole-9-carbonylamino)propanoic acid is C[C@H](NC(=O)n1c2ccccc2c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-(carbazole-9-carbonylamino)propanoic acid?
The InChIKey is OQAXDYJOGFJALA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(15(19)20)17-16(21)18-13-8-4-2-6-11(13)12-7-3-5-9-14(12)18/h2-10H,1H3,(H,17,21)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(carbazole-9-carbonylamino)propanoic acid?
(2S)-2-(carbazole-9-carbonylamino)propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbazole-9-carbonylamino)propanoic acid is sourced from PubChem (CID 5467240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).