3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid

C15H15NO4 — CID 16777702

IUPAC3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H15NO4/c1-9(17)13(15(19)20)16-14(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,17H,1H3,(H,16,18)(H,19,20)
InChIKeyRNTRVVGLYWACDY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.40
Rot. Bonds4

About 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid

3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid (PubChem CID 16777702) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
PubChem CID16777702
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H15NO4/c1-9(17)13(15(19)20)16-14(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,17H,1H3,(H,16,18)(H,19,20)
InChIKeyRNTRVVGLYWACDY-UHFFFAOYSA-N
XLogP1.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
(2S)-3-hydroxy-3-methyl-2-(naphthalene-2-carbonylamino)butanoic acid
CID 70079088
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 23364988
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid (CID 16777702) is 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid is CC(O)C(NC(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid?
The InChIKey is RNTRVVGLYWACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9(17)13(15(19)20)16-14(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid?
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 16777702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).