2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid

C14H13NO4 — CID 66165230

IUPAC2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO4/c16-12(14(18)19)8-15-13(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,16H,8H2,(H,15,17)(H,18,19)
InChIKeyZIUBKKBQUPUZCH-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.02
Rot. Bonds4

About 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid

2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid (PubChem CID 66165230) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
PubChem CID66165230
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO4/c16-12(14(18)19)8-15-13(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,16H,8H2,(H,15,17)(H,18,19)
InChIKeyZIUBKKBQUPUZCH-UHFFFAOYSA-N
XLogP1.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
CID 151828721
2-hydroxy-3-(isoquinoline-1-carbonylamino)propanoic acid
CID 66166243
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
(2S)-3-[(2-chloro-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833154
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
(2S)-2-hydroxy-3-[(2-methoxy-3-nitrobenzoyl)amino]propanoic acid
CID 107833599
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
CID 106287250

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid (CID 66165230) is 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid is O=C(NCC(O)C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid?
The InChIKey is ZIUBKKBQUPUZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12(14(18)19)8-15-13(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,16H,8H2,(H,15,17)(H,18,19).
What are the key properties of 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid?
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 66165230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).