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

C13H16ClNO5 — CID 107822760

IUPAC(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C13H16ClNO5/c1-8-6-9(14)2-3-11(8)20-7-12(17)15-10(4-5-16)13(18)19/h2-3,6,10,16H,4-5,7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyOCIKJBONFPYMMN-SNVBAGLBSA-N
MW301.73 g/mol
LogP0.98
Rot. Bonds7

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

(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid (PubChem CID 107822760) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
PubChem CID107822760
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Name(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C13H16ClNO5/c1-8-6-9(14)2-3-11(8)20-7-12(17)15-10(4-5-16)13(18)19/h2-3,6,10,16H,4-5,7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyOCIKJBONFPYMMN-SNVBAGLBSA-N
XLogP0.98
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 9157568
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223
(2S)-4-hydroxy-2-[[2-(2-methylphenoxy)acetyl]amino]butanoic acid
CID 114004863
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61242926
(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357584
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid (CID 107822760) is (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid is Cc1cc(Cl)ccc1OCC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid?
The InChIKey is OCIKJBONFPYMMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16ClNO5/c1-8-6-9(14)2-3-11(8)20-7-12(17)15-10(4-5-16)13(18)19/h2-3,6,10,16H,4-5,7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid has a molecular weight of 301.73 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).