(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide

C15H24N2O2 — CID 104984857

IUPAC(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
SMILESCC(C)(CCO)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,10-11-18)17-14(19)13(16)9-8-12-6-4-3-5-7-12/h3-7,13,18H,8-11,16H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyWYFLPHTVEVQXKU-ZDUSSCGKSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds7

About (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide

(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide (PubChem CID 104984857) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
PubChem CID104984857
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
SMILESCC(C)(CCO)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,10-11-18)17-14(19)13(16)9-8-12-6-4-3-5-7-12/h3-7,13,18H,8-11,16H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyWYFLPHTVEVQXKU-ZDUSSCGKSA-N
XLogP1.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984859
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 114350791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide (CID 104984857) is (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide is CC(C)(CCO)NC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
The InChIKey is WYFLPHTVEVQXKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,10-11-18)17-14(19)13(16)9-8-12-6-4-3-5-7-12/h3-7,13,18H,8-11,16H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).