(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid

C11H14ClNO5 — CID 70537702

IUPAC(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
SMILESC[C@H](N)C(=O)O.O=C(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3.C3H7NO2/c9-6-3-1-5(2-4-6)7(10)8(11)12;1-2(4)3(5)6/h1-4,7,10H,(H,11,12);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyYIWCOWGJGYOYTM-WNQIDUERSA-N
MW275.69 g/mol
LogP0.88
Rot. Bonds3

About (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid

(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid (PubChem CID 70537702) has the molecular formula C11H14ClNO5 and a molecular weight of 275.69 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
PubChem CID70537702
Molecular FormulaC11H14ClNO5
Molecular Weight275.69 g/mol
Exact Mass275.06
IUPAC Name(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
SMILESC[C@H](N)C(=O)O.O=C(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3.C3H7NO2/c9-6-3-1-5(2-4-6)7(10)8(11)12;1-2(4)3(5)6/h1-4,7,10H,(H,11,12);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyYIWCOWGJGYOYTM-WNQIDUERSA-N
XLogP0.88
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl] (2R)-2-aminopropanoate
CID 88741572
[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl] (2S)-2-aminopropanoate
CID 88742822
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
(2S)-2-amino-3-methylbutanoic acid;2-hydroxy-2-phenylacetic acid
CID 67781255
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid (CID 70537702) is (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid is C[C@H](N)C(=O)O.O=C(O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid?
The InChIKey is YIWCOWGJGYOYTM-WNQIDUERSA-N. The full InChI is InChI=1S/C8H7ClO3.C3H7NO2/c9-6-3-1-5(2-4-6)7(10)8(11)12;1-2(4)3(5)6/h1-4,7,10H,(H,11,12);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid?
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid has a molecular weight of 275.69 g/mol, XLogP of 0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 70537702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).