2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid

C15H15NO4 — CID 107832638

IUPAC2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO4/c17-13(15(19)20)8-9-16-14(18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,17H,8-9H2,(H,16,18)(H,19,20)
InChIKeyQRAZCHRKNXHOAZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.41
Rot. Bonds5

About 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid

2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid (PubChem CID 107832638) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
PubChem CID107832638
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO4/c17-13(15(19)20)8-9-16-14(18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,17H,8-9H2,(H,16,18)(H,19,20)
InChIKeyQRAZCHRKNXHOAZ-UHFFFAOYSA-N
XLogP1.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836135
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid (CID 107832638) is 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid is O=C(NCCC(O)C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid?
The InChIKey is QRAZCHRKNXHOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13(15(19)20)8-9-16-14(18)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,17H,8-9H2,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid?
2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid is sourced from PubChem (CID 107832638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).