(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride

C13H21ClN2O — CID 119670479

IUPAC(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
SMILESCc1ccccc1NC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3;/h4-7,9,11H,8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyXVPPQOMWPFQJQZ-MERQFXBCSA-N
MW256.78 g/mol
LogP2.73
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride (PubChem CID 119670479) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
PubChem CID119670479
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
SMILESCc1ccccc1NC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3;/h4-7,9,11H,8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyXVPPQOMWPFQJQZ-MERQFXBCSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride (CID 119670479) is (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride is Cc1ccccc1NC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride?
The InChIKey is XVPPQOMWPFQJQZ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3;/h4-7,9,11H,8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119670479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).