(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride

C14H23ClN2O — CID 119290104

IUPAC(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC(c1ccccc1)C(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(15)13(17)16-12(14(2,3)4)11-8-6-5-7-9-11;/h5-10,12H,15H2,1-4H3,(H,16,17);1H/t10-,12?;/m0./s1
InChIKeyVNFLUWHVWHAZHF-JQQXDGTNSA-N
MW270.80 g/mol
LogP2.66
Rot. Bonds3

About (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride

(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride (PubChem CID 119290104) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
PubChem CID119290104
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC(c1ccccc1)C(C)(C)C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10(15)13(17)16-12(14(2,3)4)11-8-6-5-7-9-11;/h5-10,12H,15H2,1-4H3,(H,16,17);1H/t10-,12?;/m0./s1
InChIKeyVNFLUWHVWHAZHF-JQQXDGTNSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
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CID 119316444
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
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(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
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(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride (CID 119290104) is (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride is C[C@H](N)C(=O)NC(c1ccccc1)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride?
The InChIKey is VNFLUWHVWHAZHF-JQQXDGTNSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10(15)13(17)16-12(14(2,3)4)11-8-6-5-7-9-11;/h5-10,12H,15H2,1-4H3,(H,16,17);1H/t10-,12?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride?
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119290104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).