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

C9H10ClNO3 — CID 2762309

IUPAC(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
SMILESN[C@@H](c1cccc(Cl)c1)[C@H](O)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-1-2-5(4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m0/s1
InChIKeyNNWYKVQWHGHCQY-YUMQZZPRSA-N
MW215.64 g/mol
LogP0.79
Rot. Bonds3

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

(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid (PubChem CID 2762309) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
PubChem CID2762309
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
SMILESN[C@@H](c1cccc(Cl)c1)[C@H](O)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-1-2-5(4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m0/s1
InChIKeyNNWYKVQWHGHCQY-YUMQZZPRSA-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

(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
2-[amino-(3-chlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 53445020
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514
(3-chlorophenyl)-fluoromethanol
CID 70239224
2-[amino-(3-chlorophenyl)methyl]prop-2-enoic acid
CID 72672685
(3-chlorophenyl)methanediol
CID 20679602
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid (CID 2762309) is (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid is N[C@@H](c1cccc(Cl)c1)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
The InChIKey is NNWYKVQWHGHCQY-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-6-3-1-2-5(4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-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 (2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 2762309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).