(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride

C16H25ClN2O2 — CID 119343152

IUPAC(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
SMILESCOC1CC(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2)13(10-14(16)20-3)18-15(19)12(17)9-11-7-5-4-6-8-11;/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19);1H/t12-,13?,14?;/m0./s1
InChIKeyCSHIZUVKQRDLFC-NEWLCSRUSA-N
MW312.84 g/mol
LogP1.91
Rot. Bonds5

About (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119343152) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
PubChem CID119343152
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
SMILESCOC1CC(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2)13(10-14(16)20-3)18-15(19)12(17)9-11-7-5-4-6-8-11;/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19);1H/t12-,13?,14?;/m0./s1
InChIKeyCSHIZUVKQRDLFC-NEWLCSRUSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343207
(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119343823
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122005755
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669141
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
2-(4-aminophenyl)-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812779
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride (CID 119343152) is (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride is COC1CC(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is CSHIZUVKQRDLFC-NEWLCSRUSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2)13(10-14(16)20-3)18-15(19)12(17)9-11-7-5-4-6-8-11;/h4-8,12-14H,9-10,17H2,1-3H3,(H,18,19);1H/t12-,13?,14?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119343152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).