(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride

C9H11ClO3 — CID 67010378

IUPAC(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
SMILESCl.O=C(O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C9H10O3.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);1H/t8-;/m1./s1
InChIKeyJYDDMWSWWYOYCE-DDWIOCJRSA-N
MW202.64 g/mol
LogP1.10
Rot. Bonds3

About (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride

(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride (PubChem CID 67010378) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
PubChem CID67010378
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
SMILESCl.O=C(O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C9H10O3.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);1H/t8-;/m1./s1
InChIKeyJYDDMWSWWYOYCE-DDWIOCJRSA-N
XLogP1.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;2-hydroxy-3-phenylpropanoic acid
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(2S)-2-hydroxy-3-phenylpropanethioic S-acid
CID 21114760
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
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2-hydroxy-4-methyl-1-phenylpentan-3-one;2-methylpropanoic acid
CID 174968865
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
CID 87933101
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
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2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride (CID 67010378) is (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride is Cl.O=C(O)[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
The InChIKey is JYDDMWSWWYOYCE-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10O3.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride?
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 67010378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).