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

C15H15NO4 — CID 70817249

IUPAC3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
SMILESCOCC(NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H15NO4/c1-20-9-13(15(18)19)16-14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyJOQIUAXLYYHEIO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.67
Rot. Bonds5

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

3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid (PubChem CID 70817249) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
PubChem CID70817249
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
SMILESCOCC(NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H15NO4/c1-20-9-13(15(18)19)16-14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyJOQIUAXLYYHEIO-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 77473542
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
2-[(3-bromonaphthalene-1-carbonyl)amino]-4-methoxybutanoic acid
CID 120702545
3-methoxy-2-[(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 81084500
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoic acid
CID 141145790
2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-3-methoxypropanoic acid
CID 81076404
methyl (2R)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 90972320
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 59948439
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid (CID 70817249) is 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid is COCC(NC(=O)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid?
The InChIKey is JOQIUAXLYYHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-20-9-13(15(18)19)16-14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid?
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 70817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).