(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide

C13H28N2O2 — CID 114176965

IUPAC(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)8-10(14)12(17)15-11(6-7-16)13(3,4)5/h9-11,16H,6-8,14H2,1-5H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyKVUFZUHWQDRQQJ-VUWPPUDQSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide

(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide (PubChem CID 114176965) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
PubChem CID114176965
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)8-10(14)12(17)15-11(6-7-16)13(3,4)5/h9-11,16H,6-8,14H2,1-5H3,(H,15,17)/t10-,11?/m0/s1
InChIKeyKVUFZUHWQDRQQJ-VUWPPUDQSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
CID 114176937
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide (CID 114176965) is (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
The InChIKey is KVUFZUHWQDRQQJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-9(2)8-10(14)12(17)15-11(6-7-16)13(3,4)5/h9-11,16H,6-8,14H2,1-5H3,(H,15,17)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 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-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide is sourced from PubChem (CID 114176965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).