(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride

C13H21ClN2O — CID 119270188

IUPAC(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCC(C)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-12(14)13(16)15-9-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16);1H/t10?,12-;/m0./s1
InChIKeyRKMPKRBOXKVCHX-RLVDVTLISA-N
MW256.78 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride

(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride (PubChem CID 119270188) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
PubChem CID119270188
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCC(C)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-12(14)13(16)15-9-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16);1H/t10?,12-;/m0./s1
InChIKeyRKMPKRBOXKVCHX-RLVDVTLISA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
CID 120990918
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride (CID 119270188) is (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride is CC[C@H](N)C(=O)NCC(C)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride?
The InChIKey is RKMPKRBOXKVCHX-RLVDVTLISA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-3-12(14)13(16)15-9-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16);1H/t10?,12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride?
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119270188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).