(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid

C14H18N2O5 — CID 107822994

IUPAC(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
SMILESCC(=O)Nc1ccc(CC(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-9(18)15-11-4-2-10(3-5-11)8-13(19)16-12(6-7-17)14(20)21/h2-5,12,17H,6-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)/t12-/m1/s1
InChIKeyNILPBAMIGSRWOF-GFCCVEGCSA-N
MW294.31 g/mol
LogP0.14
Rot. Bonds7

About (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 107822994) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID107822994
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
SMILESCC(=O)Nc1ccc(CC(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-9(18)15-11-4-2-10(3-5-11)8-13(19)16-12(6-7-17)14(20)21/h2-5,12,17H,6-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)/t12-/m1/s1
InChIKeyNILPBAMIGSRWOF-GFCCVEGCSA-N
XLogP0.14
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821893
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107825228
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 166317775
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
CID 108804747
(2S)-2-[[4-(cyanomethyl)phenyl]carbamoylamino]-4-hydroxybutanoic acid
CID 107827481
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 107822772
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid (CID 107822994) is (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid is CC(=O)Nc1ccc(CC(=O)N[C@H](CCO)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is NILPBAMIGSRWOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(18)15-11-4-2-10(3-5-11)8-13(19)16-12(6-7-17)14(20)21/h2-5,12,17H,6-8H2,1H3,(H,15,18)(H,16,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).