(2S)-2-amino-3-phenylpropanamide;hydrochloride

C9H13ClN2O — CID 11953719

IUPAC(2S)-2-amino-3-phenylpropanamide;hydrochloride
SMILESCl.NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C9H12N2O.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H2,11,12);1H/t8-;/m0./s1
InChIKeyKLHLGTPNBQXSJT-QRPNPIFTSA-N
MW200.67 g/mol
LogP0.46
Rot. Bonds3

About (2S)-2-amino-3-phenylpropanamide;hydrochloride

(2S)-2-amino-3-phenylpropanamide;hydrochloride (PubChem CID 11953719) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanamide;hydrochloride
PubChem CID11953719
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-amino-3-phenylpropanamide;hydrochloride
SMILESCl.NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C9H12N2O.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H2,11,12);1H/t8-;/m0./s1
InChIKeyKLHLGTPNBQXSJT-QRPNPIFTSA-N
XLogP0.46
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Para-Iodo-D-Phenylalanine Hydroxamic Acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenylpropanamide;hydrochloride (CID 11953719) is (2S)-2-amino-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenylpropanamide;hydrochloride is Cl.NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenylpropanamide;hydrochloride?
The InChIKey is KLHLGTPNBQXSJT-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H2,11,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-3-phenylpropanamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 11953719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).