(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide

C15H24N2O2 — CID 104905233

IUPAC(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)C(C)CNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)11(3)9-17-15(19)14(16)8-12-4-6-13(18)7-5-12/h4-7,10-11,14,18H,8-9,16H2,1-3H3,(H,17,19)/t11?,14-/m1/s1
InChIKeyRQYFNMBJKQYOLD-SBXXRYSUSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds6

About (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905233) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905233
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)C(C)CNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)11(3)9-17-15(19)14(16)8-12-4-6-13(18)7-5-12/h4-7,10-11,14,18H,8-9,16H2,1-3H3,(H,17,19)/t11?,14-/m1/s1
InChIKeyRQYFNMBJKQYOLD-SBXXRYSUSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylsulfanylpropyl)propanamide
CID 104861427
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
5-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 104905456
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104905303
2-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]butanoic acid
CID 65224541
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide (CID 104905233) is (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide is CC(C)C(C)CNC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is RQYFNMBJKQYOLD-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)11(3)9-17-15(19)14(16)8-12-4-6-13(18)7-5-12/h4-7,10-11,14,18H,8-9,16H2,1-3H3,(H,17,19)/t11?,14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).