(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid

C12H14ClNO4 — CID 80750195

IUPAC(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
SMILESO=C(CCc1ccccc1Cl)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H14ClNO4/c13-9-4-2-1-3-8(9)5-6-11(16)14-10(7-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeySIHSWTQIGGUBIJ-SNVBAGLBSA-N
MW271.70 g/mol
LogP0.83
Rot. Bonds6

About (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid

(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid (PubChem CID 80750195) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
PubChem CID80750195
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid
SMILESO=C(CCc1ccccc1Cl)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H14ClNO4/c13-9-4-2-1-3-8(9)5-6-11(16)14-10(7-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeySIHSWTQIGGUBIJ-SNVBAGLBSA-N
XLogP0.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-chlorophenyl)propanoylamino]-4-sulfanylbutanoic acid
CID 114212483
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79011146
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
(2S)-2-[3-(2-chlorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119859
3-(2-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246362
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61414825
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 61152444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid (CID 80750195) is (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid is O=C(CCc1ccccc1Cl)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid?
The InChIKey is SIHSWTQIGGUBIJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14ClNO4/c13-9-4-2-1-3-8(9)5-6-11(16)14-10(7-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid?
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid has a molecular weight of 271.70 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).