(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride

C16H25ClN2O — CID 119343823

IUPAC(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
SMILESCC1(C)C(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-15(2)14(16(15,3)4)18-13(19)12(17)10-11-8-6-5-7-9-11;/h5-9,12,14H,10,17H2,1-4H3,(H,18,19);1H/t12-;/m0./s1
InChIKeyJANSHJCVVHJEDA-YDALLXLXSA-N
MW296.84 g/mol
LogP2.53
Rot. Bonds4

About (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride (PubChem CID 119343823) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
PubChem CID119343823
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
SMILESCC1(C)C(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-15(2)14(16(15,3)4)18-13(19)12(17)10-11-8-6-5-7-9-11;/h5-9,12,14H,10,17H2,1-4H3,(H,18,19);1H/t12-;/m0./s1
InChIKeyJANSHJCVVHJEDA-YDALLXLXSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343207
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343152
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-2-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)acetamide
CID 79362692
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride (CID 119343823) is (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride is CC1(C)C(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
The InChIKey is JANSHJCVVHJEDA-YDALLXLXSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-15(2)14(16(15,3)4)18-13(19)12(17)10-11-8-6-5-7-9-11;/h5-9,12,14H,10,17H2,1-4H3,(H,18,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride is sourced from PubChem (CID 119343823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).