(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid

C14H19NO4 — CID 107823303

IUPAC(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid
SMILESCc1ccc(CCC(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10-2-4-11(5-3-10)6-7-13(17)15-12(8-9-16)14(18)19/h2-5,12,16H,6-9H2,1H3,(H,15,17)(H,18,19)/t12-/m1/s1
InChIKeyJXKLSQVIBAHCJP-GFCCVEGCSA-N
MW265.31 g/mol
LogP0.88
Rot. Bonds7

About (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid

(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid (PubChem CID 107823303) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid
PubChem CID107823303
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid
SMILESCc1ccc(CCC(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10-2-4-11(5-3-10)6-7-13(17)15-12(8-9-16)14(18)19/h2-5,12,16H,6-9H2,1H3,(H,15,17)(H,18,19)/t12-/m1/s1
InChIKeyJXKLSQVIBAHCJP-GFCCVEGCSA-N
XLogP0.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-methylphenyl)propanoylamino]hexanoic acid
CID 107143935
5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 43357198
(2R)-4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 107821277
4-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 61244020
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 61152444
(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
CID 93252359
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
2-[3-(4-ethylphenyl)propanoylamino]-4-methylsulfanylbutanoic acid
CID 43091814

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid (CID 107823303) is (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid is Cc1ccc(CCC(=O)N[C@H](CCO)C(=O)O)cc1.
What is the InChIKey of (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid?
The InChIKey is JXKLSQVIBAHCJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-2-4-11(5-3-10)6-7-13(17)15-12(8-9-16)14(18)19/h2-5,12,16H,6-9H2,1H3,(H,15,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid?
(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid is sourced from PubChem (CID 107823303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).