(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid

C12H15ClN2O5 — CID 107829616

IUPAC(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCOc1cc(NC(=O)N[C@H](CCO)C(=O)O)ccc1Cl
InChIInChI=1S/C12H15ClN2O5/c1-20-10-6-7(2-3-8(10)13)14-12(19)15-9(4-5-16)11(17)18/h2-3,6,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyYXSVFRJZSZSSQJ-SECBINFHSA-N
MW302.71 g/mol
LogP1.31
Rot. Bonds6

About (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107829616) has the molecular formula C12H15ClN2O5 and a molecular weight of 302.71 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID107829616
Molecular FormulaC12H15ClN2O5
Molecular Weight302.71 g/mol
Exact Mass302.07
IUPAC Name(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCOc1cc(NC(=O)N[C@H](CCO)C(=O)O)ccc1Cl
InChIInChI=1S/C12H15ClN2O5/c1-20-10-6-7(2-3-8(10)13)14-12(19)15-9(4-5-16)11(17)18/h2-3,6,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyYXSVFRJZSZSSQJ-SECBINFHSA-N
XLogP1.31
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107622421
(2R)-2-[(4-chloro-3-nitrophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829672
2-[(4-chloro-3-nitrophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107812033
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
3-[(4-chloro-3-methoxyphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110647
2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107576465
(2S)-2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829586
2-[[(4-chloro-3-methoxyphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 107622487
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 82860101
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid (CID 107829616) is (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid is COc1cc(NC(=O)N[C@H](CCO)C(=O)O)ccc1Cl.
What is the InChIKey of (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is YXSVFRJZSZSSQJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O5/c1-20-10-6-7(2-3-8(10)13)14-12(19)15-9(4-5-16)11(17)18/h2-3,6,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 302.71 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107829616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).