(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid

C12H16N2O5 — CID 107823889

IUPAC(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCOc1ccc(NC(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5/c1-19-9-4-2-8(3-5-9)13-12(18)14-10(6-7-15)11(16)17/h2-5,10,15H,6-7H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m1/s1
InChIKeyWCMVISDYYZKZRR-SNVBAGLBSA-N
MW268.27 g/mol
LogP0.65
Rot. Bonds6

About (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid (PubChem CID 107823889) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
PubChem CID107823889
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCOc1ccc(NC(=O)N[C@H](CCO)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5/c1-19-9-4-2-8(3-5-9)13-12(18)14-10(6-7-15)11(16)17/h2-5,10,15H,6-7H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m1/s1
InChIKeyWCMVISDYYZKZRR-SNVBAGLBSA-N
XLogP0.65
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)carbamoylamino]-4-sulfanylbutanoic acid
CID 114212634
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829616
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)carbamoylamino]butanoic acid
CID 107825809
(2R)-2-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005089
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821893
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822994
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
(2S)-2-[[4-(cyanomethyl)phenyl]carbamoylamino]-4-hydroxybutanoic acid
CID 107827481
(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829628
2-[(4-propoxyphenyl)carbamoylamino]pentanoic acid
CID 62328876

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid (CID 107823889) is (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid is COc1ccc(NC(=O)N[C@H](CCO)C(=O)O)cc1.
What is the InChIKey of (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is WCMVISDYYZKZRR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-19-9-4-2-8(3-5-9)13-12(18)14-10(6-7-15)11(16)17/h2-5,10,15H,6-7H2,1H3,(H,16,17)(H2,13,14,18)/t10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 107823889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).