(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide

C13H20N2O2 — CID 79013339

IUPAC(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)12(14)13(17)15-8-7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeySNENVJOCYHMGJX-GFCCVEGCSA-N
MW236.31 g/mol
LogP1.03
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide

(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 79013339) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
PubChem CID79013339
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-9(2)12(14)13(17)15-8-7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeySNENVJOCYHMGJX-GFCCVEGCSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-(ethylsulfinylamino)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 142091683
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide (CID 79013339) is (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is SNENVJOCYHMGJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)12(14)13(17)15-8-7-10-3-5-11(16)6-4-10/h3-6,9,12,16H,7-8,14H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide?
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.03, 5 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-(4-hydroxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 79013339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).