(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide

C15H22N2O — CID 103797671

IUPAC(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
SMILESCC1(CNC(=O)[C@@H](N)Cc2ccccc2)CCC1
InChIInChI=1S/C15H22N2O/c1-15(8-5-9-15)11-17-14(18)13(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBGRBZVHBYDBRGK-ZDUSSCGKSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide

(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide (PubChem CID 103797671) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
PubChem CID103797671
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
SMILESCC1(CNC(=O)[C@@H](N)Cc2ccccc2)CCC1
InChIInChI=1S/C15H22N2O/c1-15(8-5-9-15)11-17-14(18)13(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyBGRBZVHBYDBRGK-ZDUSSCGKSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide (CID 103797671) is (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide is CC1(CNC(=O)[C@@H](N)Cc2ccccc2)CCC1.
What is the InChIKey of (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide?
The InChIKey is BGRBZVHBYDBRGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(8-5-9-15)11-17-14(18)13(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 103797671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).