(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide

C14H22N2O2 — CID 104984748

IUPAC(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
SMILESCC(CCO)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-10-17)16-14(18)13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)/t11?,13-/m0/s1
InChIKeyPFGGYULBRGLTIB-YUZLPWPTSA-N
MW250.34 g/mol
LogP0.83
Rot. Bonds7

About (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide

(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide (PubChem CID 104984748) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
PubChem CID104984748
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
SMILESCC(CCO)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-10-17)16-14(18)13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)/t11?,13-/m0/s1
InChIKeyPFGGYULBRGLTIB-YUZLPWPTSA-N
XLogP0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
(2S)-2-amino-N-(4-methylsulfinylbutan-2-yl)-4-phenylbutanamide
CID 104984835
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide (CID 104984748) is (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide is CC(CCO)NC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
The InChIKey is PFGGYULBRGLTIB-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(9-10-17)16-14(18)13(15)8-7-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 0.83, 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-hydroxybutan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).