2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid

C13H15NO5 — CID 70817401

IUPAC2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid
SMILESCCC(=O)N(C(=O)c1ccccc1)C(CO)C(=O)O
InChIInChI=1S/C13H15NO5/c1-2-11(16)14(10(8-15)13(18)19)12(17)9-6-4-3-5-7-9/h3-7,10,15H,2,8H2,1H3,(H,18,19)
InChIKeyMULCDFWTBSBVRG-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.51
Rot. Bonds5

About 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid

2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid (PubChem CID 70817401) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid
PubChem CID70817401
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid
SMILESCCC(=O)N(C(=O)c1ccccc1)C(CO)C(=O)O
InChIInChI=1S/C13H15NO5/c1-2-11(16)14(10(8-15)13(18)19)12(17)9-6-4-3-5-7-9/h3-7,10,15H,2,8H2,1H3,(H,18,19)
InChIKeyMULCDFWTBSBVRG-UHFFFAOYSA-N
XLogP0.51
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13029157
2-(N-propanoylanilino)butanedioic acid
CID 174719289
(2S)-3-hydroxy-2-[(2-hydroxybenzoyl)oxy-propanoylamino]propanoic acid
CID 150628336
2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 62627453
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
tribenzoyl(ethyl)phosphanium
CID 67361318
(2S)-2-[benzoyl(ethoxycarbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 174681549
2-[benzoyl(methyl)amino]pentanedioic acid
CID 174836682
2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
CID 82324538
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
3-acetyloxy-2-[benzoyl(methyl)amino]propanoic acid
CID 70816908
CID 174412487
CID 174412487

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid (CID 70817401) is 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid is CCC(=O)N(C(=O)c1ccccc1)C(CO)C(=O)O.
What is the InChIKey of 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is MULCDFWTBSBVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-2-11(16)14(10(8-15)13(18)19)12(17)9-6-4-3-5-7-9/h3-7,10,15H,2,8H2,1H3,(H,18,19).
What are the key properties of 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid?
2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 265.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(propanoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 70817401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).