(2R)-2-amino-2-chloro-3-phenylpropanoic acid

C9H10ClNO2 — CID 21116120

IUPAC(2R)-2-amino-2-chloro-3-phenylpropanoic acid
SMILESN[C@@](Cl)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/t9-/m0/s1
InChIKeyPUEPKNVLJXHBFX-VIFPVBQESA-N
MW199.64 g/mol
LogP1.21
Rot. Bonds3

About (2R)-2-amino-2-chloro-3-phenylpropanoic acid

(2R)-2-amino-2-chloro-3-phenylpropanoic acid (PubChem CID 21116120) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (2R)-2-amino-2-chloro-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-chloro-3-phenylpropanoic acid
PubChem CID21116120
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(2R)-2-amino-2-chloro-3-phenylpropanoic acid
SMILESN[C@@](Cl)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/t9-/m0/s1
InChIKeyPUEPKNVLJXHBFX-VIFPVBQESA-N
XLogP1.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-3-phenylpropanamide
CID 21425793
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
2-amino-2-benzylpentanoic acid
CID 24974249
2-benzyl-3-chloro-2,3-dihydroxybutanedioic acid
CID 142633010
(2S)-2,4-diamino-2-benzylbutanoic acid
CID 70154199
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
2-amino-2-benzylbut-3-enoic acid
CID 10976314
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-chloro-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-chloro-3-phenylpropanoic acid (CID 21116120) is (2R)-2-amino-2-chloro-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-chloro-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-chloro-3-phenylpropanoic acid is N[C@@](Cl)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-chloro-3-phenylpropanoic acid?
The InChIKey is PUEPKNVLJXHBFX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-chloro-3-phenylpropanoic acid?
(2R)-2-amino-2-chloro-3-phenylpropanoic acid has a molecular weight of 199.64 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-chloro-3-phenylpropanoic acid is sourced from PubChem (CID 21116120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).