(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide

C15H24N2O2 — CID 104984859

IUPAC(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
SMILESCC(O)C(C)(C)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-11(18)15(2,3)17-14(19)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13,18H,9-10,16H2,1-3H3,(H,17,19)/t11?,13-/m0/s1
InChIKeyVVGXUIIAELNBPX-YUZLPWPTSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds6

About (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide

(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide (PubChem CID 104984859) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
PubChem CID104984859
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
SMILESCC(O)C(C)(C)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-11(18)15(2,3)17-14(19)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13,18H,9-10,16H2,1-3H3,(H,17,19)/t11?,13-/m0/s1
InChIKeyVVGXUIIAELNBPX-YUZLPWPTSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide (CID 104984859) is (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide is CC(O)C(C)(C)NC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
The InChIKey is VVGXUIIAELNBPX-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(18)15(2,3)17-14(19)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13,18H,9-10,16H2,1-3H3,(H,17,19)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).