3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride

C14H22ClN3O2 — CID 119296279

IUPAC3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)C(N)=O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,13(16)19)9-17-12(18)11(15)8-10-6-4-3-5-7-10;/h3-7,11H,8-9,15H2,1-2H3,(H2,16,19)(H,17,18);1H/t11-;/m0./s1
InChIKeyZAAKYVGEMBAVKG-MERQFXBCSA-N
MW299.80 g/mol
LogP0.61
Rot. Bonds6

About 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride

3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119296279) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119296279
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)C(N)=O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,13(16)19)9-17-12(18)11(15)8-10-6-4-3-5-7-10;/h3-7,11H,8-9,15H2,1-2H3,(H2,16,19)(H,17,18);1H/t11-;/m0./s1
InChIKeyZAAKYVGEMBAVKG-MERQFXBCSA-N
XLogP0.61
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride (CID 119296279) is 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)C(N)=O.Cl.
What is the InChIKey of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is ZAAKYVGEMBAVKG-MERQFXBCSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-14(2,13(16)19)9-17-12(18)11(15)8-10-6-4-3-5-7-10;/h3-7,11H,8-9,15H2,1-2H3,(H2,16,19)(H,17,18);1H/t11-;/m0./s1.
What are the key properties of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride?
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119296279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).