(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride

C12H19ClN2O — CID 70408513

IUPAC(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCCc1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-10(13)12(15)14-9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,10H,5,8-9,13H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyWXTKQDPYCWGNNA-HNCPQSOCSA-N
MW242.75 g/mol
LogP1.50
Rot. Bonds5

About (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride

(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride (PubChem CID 70408513) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
PubChem CID70408513
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCCc1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-10(13)12(15)14-9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,10H,5,8-9,13H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyWXTKQDPYCWGNNA-HNCPQSOCSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
3-phenylpropylurea;hydrochloride
CID 174579396
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2S)-2-amino-4-oxo-4-(3-phenylpropylamino)butanoic acid
CID 67284376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride (CID 70408513) is (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NCCCc1ccccc1.Cl.
What is the InChIKey of (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride?
The InChIKey is WXTKQDPYCWGNNA-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-10(13)12(15)14-9-5-8-11-6-3-2-4-7-11;/h2-4,6-7,10H,5,8-9,13H2,1H3,(H,14,15);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride?
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 70408513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).