2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid

C12H15NO4 — CID 134090316

IUPAC2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid
SMILESCC(NCCC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)13-7-6-11(15)9-4-2-3-5-10(9)14/h2-5,8,13-14H,6-7H2,1H3,(H,16,17)
InChIKeyWDKCUCFKYSXHDZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.03
Rot. Bonds6

About 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid

2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid (PubChem CID 134090316) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid
PubChem CID134090316
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid
SMILESCC(NCCC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)13-7-6-11(15)9-4-2-3-5-10(9)14/h2-5,8,13-14H,6-7H2,1H3,(H,16,17)
InChIKeyWDKCUCFKYSXHDZ-UHFFFAOYSA-N
XLogP1.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3624355
(2R)-2-(2-phenylethylamino)propanoic acid
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CID 46706960
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
4-[[(1S)-1-carboxyethyl]amino]-2-phenylbutanoic acid
CID 67799293
ethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]propanoate
CID 2069021
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
(2S)-2-(5-phenylpentylamino)propanoic acid
CID 70498389
N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
CID 70466326
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
CID 83194749
(2S)-2-[[2-(2-hydroxyphenyl)-2-oxoethyl]amino]-3-sulfanylpropanoic acid
CID 87372879

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid (CID 134090316) is 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid is CC(NCCC(=O)c1ccccc1O)C(=O)O.
What is the InChIKey of 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid?
The InChIKey is WDKCUCFKYSXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(16)17)13-7-6-11(15)9-4-2-3-5-10(9)14/h2-5,8,13-14H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid?
2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 134090316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).