(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid

C26H20N2O3 — CID 147501226

IUPAC(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H20N2O3/c29-25(30)22(16-17-13-14-18-7-1-2-8-19(18)15-17)27-26(31)28-23-11-5-3-9-20(23)21-10-4-6-12-24(21)28/h1-15,22H,16H2,(H,27,31)(H,29,30)/t22-/m1/s1
InChIKeyFHLMLUGPILBINM-JOCHJYFZSA-N
MW408.46 g/mol
LogP5.20
Rot. Bonds4

About (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid

(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid (PubChem CID 147501226) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid
PubChem CID147501226
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C26H20N2O3/c29-25(30)22(16-17-13-14-18-7-1-2-8-19(18)15-17)27-26(31)28-23-11-5-3-9-20(23)21-10-4-6-12-24(21)28/h1-15,22H,16H2,(H,27,31)(H,29,30)/t22-/m1/s1
InChIKeyFHLMLUGPILBINM-JOCHJYFZSA-N
XLogP5.20
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
(2S)-2-[(3-cyanoazetidine-1-carbonyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 166290421
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
2-(2-ethylhexanoylamino)-3-naphthalen-2-ylpropanoic acid
CID 139753313
(3S)-4-[[(1S)-1-carboxy-2-naphthalen-2-ylethyl]amino]-4-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]butanoic acid
CID 58697721
(4-chloro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamic acid
CID 19032004
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
(2S)-2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-naphthalen-2-ylpropanoic acid
CID 18596167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid (CID 147501226) is (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid is O=C(O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid?
The InChIKey is FHLMLUGPILBINM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H20N2O3/c29-25(30)22(16-17-13-14-18-7-1-2-8-19(18)15-17)27-26(31)28-23-11-5-3-9-20(23)21-10-4-6-12-24(21)28/h1-15,22H,16H2,(H,27,31)(H,29,30)/t22-/m1/s1.
What are the key properties of (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid?
(2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid has a molecular weight of 408.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbazole-9-carbonylamino)-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 147501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).