(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride

C9H13ClN2O2 — CID 24994544

IUPAC(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
SMILESCl.NC(=O)[C@H](O)[C@@H](N)c1ccccc1
InChIInChI=1S/C9H12N2O2.ClH/c10-7(8(12)9(11)13)6-4-2-1-3-5-6;/h1-5,7-8,12H,10H2,(H2,11,13);1H/t7-,8+;/m0./s1
InChIKeyYCYWFFKGDZYEOY-KZYPOYLOSA-N
MW216.67 g/mol
LogP-0.05
Rot. Bonds3

About (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride

(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride (PubChem CID 24994544) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
PubChem CID24994544
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
SMILESCl.NC(=O)[C@H](O)[C@@H](N)c1ccccc1
InChIInChI=1S/C9H12N2O2.ClH/c10-7(8(12)9(11)13)6-4-2-1-3-5-6;/h1-5,7-8,12H,10H2,(H2,11,13);1H/t7-,8+;/m0./s1
InChIKeyYCYWFFKGDZYEOY-KZYPOYLOSA-N
XLogP-0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-3-phenylpropanoate
CID 22033560
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide
CID 13182012
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(3R)-3-amino-N,N-dibenzyl-2-hydroxy-3-phenylpropanamide
CID 67829901
2-phenyl-2-sulfanylacetamide
CID 19419425
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate
CID 69049238

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride (CID 24994544) is (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride is Cl.NC(=O)[C@H](O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride?
The InChIKey is YCYWFFKGDZYEOY-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c10-7(8(12)9(11)13)6-4-2-1-3-5-6;/h1-5,7-8,12H,10H2,(H2,11,13);1H/t7-,8+;/m0./s1.
What are the key properties of (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride?
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 24994544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).