(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride

C12H19ClN2O — CID 119270636

IUPAC(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCc1ccccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-11(13)12(15)14-8-10-7-5-4-6-9(10)2;/h4-7,11H,3,8,13H2,1-2H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyLOGIPFPGFNOZFN-MERQFXBCSA-N
MW242.75 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride

(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride (PubChem CID 119270636) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
PubChem CID119270636
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCc1ccccc1C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-11(13)12(15)14-8-10-7-5-4-6-9(10)2;/h4-7,11H,3,8,13H2,1-2H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyLOGIPFPGFNOZFN-MERQFXBCSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
(2S)-2-amino-N'-[(2-methylphenyl)methyl]butanediamide
CID 58987437
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride (CID 119270636) is (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NCc1ccccc1C.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is LOGIPFPGFNOZFN-MERQFXBCSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-11(13)12(15)14-8-10-7-5-4-6-9(10)2;/h4-7,11H,3,8,13H2,1-2H3,(H,14,15);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.77, 4 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-methylphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119270636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).