2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid

C9H10ClNO3 — CID 66206959

IUPAC2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO3/c10-6-4-2-1-3-5(6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)
InChIKeyIHNIQIZZORTGDJ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid

2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid (PubChem CID 66206959) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
PubChem CID66206959
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO3/c10-6-4-2-1-3-5(6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)
InChIKeyIHNIQIZZORTGDJ-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10243770
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
3-amino-1-(4-chloro-N-methylanilino)-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 56983497
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid (CID 66206959) is 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid is NC(C(=O)O)C(O)c1ccccc1Cl.
What is the InChIKey of 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
The InChIKey is IHNIQIZZORTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-6-4-2-1-3-5(6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14).
What are the key properties of 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid?
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid has a molecular weight of 215.64 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 66206959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).