(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride

C13H21ClN2O — CID 119273389

IUPAC(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
SMILESCC(C)C(NC(=O)[C@@H](C)N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(2)12(15-13(16)10(3)14)11-7-5-4-6-8-11;/h4-10,12H,14H2,1-3H3,(H,15,16);1H/t10-,12?;/m1./s1
InChIKeyIGNBISMSALXHAG-CUVFJIIPSA-N
MW256.78 g/mol
LogP2.27
Rot. Bonds4

About (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride

(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride (PubChem CID 119273389) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
PubChem CID119273389
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
SMILESCC(C)C(NC(=O)[C@@H](C)N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(2)12(15-13(16)10(3)14)11-7-5-4-6-8-11;/h4-10,12H,14H2,1-3H3,(H,15,16);1H/t10-,12?;/m1./s1
InChIKeyIGNBISMSALXHAG-CUVFJIIPSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 76888023
3-amino-4-[(2-methyl-1-phenylpropyl)amino]-4-oxobutanoic acid
CID 64896854
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
4-amino-2-methyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 80543438
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride (CID 119273389) is (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride is CC(C)C(NC(=O)[C@@H](C)N)c1ccccc1.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride?
The InChIKey is IGNBISMSALXHAG-CUVFJIIPSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9(2)12(15-13(16)10(3)14)11-7-5-4-6-8-11;/h4-10,12H,14H2,1-3H3,(H,15,16);1H/t10-,12?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119273389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).