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

C17H27ClN2O2 — CID 119343207

IUPAC(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
SMILESCOC1(C)CC(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-16(2)14(11-17(16,3)21-4)19-15(20)13(18)10-12-8-6-5-7-9-12;/h5-9,13-14H,10-11,18H2,1-4H3,(H,19,20);1H/t13-,14?,17?;/m0./s1
InChIKeyPIZXRENSEBEQIW-XULLFBLUSA-N
MW326.87 g/mol
LogP2.30
Rot. Bonds5

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

(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119343207) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
PubChem CID119343207
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
SMILESCOC1(C)CC(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-16(2)14(11-17(16,3)21-4)19-15(20)13(18)10-12-8-6-5-7-9-12;/h5-9,13-14H,10-11,18H2,1-4H3,(H,19,20);1H/t13-,14?,17?;/m0./s1
InChIKeyPIZXRENSEBEQIW-XULLFBLUSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343152
(2S)-2-amino-3-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119343823
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119297434
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
CID 10587559
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride (CID 119343207) is (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride is COC1(C)CC(NC(=O)[C@@H](N)Cc2ccccc2)C1(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is PIZXRENSEBEQIW-XULLFBLUSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-16(2)14(11-17(16,3)21-4)19-15(20)13(18)10-12-8-6-5-7-9-12;/h5-9,13-14H,10-11,18H2,1-4H3,(H,19,20);1H/t13-,14?,17?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.30, 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-2,2,3-trimethylcyclobutyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119343207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).