(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide

C15H22N2O2 — CID 104871348

IUPAC(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCC1
InChIInChI=1S/C15H22N2O2/c1-10(12-3-2-4-12)17-15(19)14(16)9-11-5-7-13(18)8-6-11/h5-8,10,12,14,18H,2-4,9,16H2,1H3,(H,17,19)/t10?,14-/m0/s1
InChIKeyHMGCLXDOVZKDBC-SBNLOKMTSA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds5

About (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104871348) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104871348
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCC1
InChIInChI=1S/C15H22N2O2/c1-10(12-3-2-4-12)17-15(19)14(16)9-11-5-7-13(18)8-6-11/h5-8,10,12,14,18H,2-4,9,16H2,1H3,(H,17,19)/t10?,14-/m0/s1
InChIKeyHMGCLXDOVZKDBC-SBNLOKMTSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104904745
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-(3-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 61156321
methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
CID 91596177
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
(2R)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 104905321
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide (CID 104871348) is (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide is CC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is HMGCLXDOVZKDBC-SBNLOKMTSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(12-3-2-4-12)17-15(19)14(16)9-11-5-7-13(18)8-6-11/h5-8,10,12,14,18H,2-4,9,16H2,1H3,(H,17,19)/t10?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104871348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).