2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide

C13H18N2O3 — CID 114152434

IUPAC2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
SMILESCc1cccc(CCC(=O)NCC(O)C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-10(7-9)5-6-12(17)15-8-11(16)13(14)18/h2-4,7,11,16H,5-6,8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyFQHYXVOMMOYGPH-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.11
Rot. Bonds6

About 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide

2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide (PubChem CID 114152434) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
PubChem CID114152434
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
SMILESCc1cccc(CCC(=O)NCC(O)C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-10(7-9)5-6-12(17)15-8-11(16)13(14)18/h2-4,7,11,16H,5-6,8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyFQHYXVOMMOYGPH-UHFFFAOYSA-N
XLogP-0.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783
(2S)-2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 114006419
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
CID 106166158
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
N-(2-bromo-2-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114308268
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide (CID 114152434) is 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide is Cc1cccc(CCC(=O)NCC(O)C(N)=O)c1.
What is the InChIKey of 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide?
The InChIKey is FQHYXVOMMOYGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-2-4-10(7-9)5-6-12(17)15-8-11(16)13(14)18/h2-4,7,11,16H,5-6,8H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide?
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide has a molecular weight of 250.30 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide is sourced from PubChem (CID 114152434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).