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

C11H24N2O2 — CID 104873418

IUPAC(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)(C)CCO
InChIInChI=1S/C11H24N2O2/c1-8(2)7-9(12)10(15)13-11(3,4)5-6-14/h8-9,14H,5-7,12H2,1-4H3,(H,13,15)/t9-/m0/s1
InChIKeyFKKCDIDZCWIIDA-VIFPVBQESA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds6

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

(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide (PubChem CID 104873418) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
PubChem CID104873418
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)(C)CCO
InChIInChI=1S/C11H24N2O2/c1-8(2)7-9(12)10(15)13-11(3,4)5-6-14/h8-9,14H,5-7,12H2,1-4H3,(H,13,15)/t9-/m0/s1
InChIKeyFKKCDIDZCWIIDA-VIFPVBQESA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 114350791
2-amino-N-(2,4-dimethylpentan-2-yl)pentanamide
CID 135224025
2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968634
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 114176965
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide (CID 104873418) is (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(C)(C)CCO.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide?
The InChIKey is FKKCDIDZCWIIDA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)7-9(12)10(15)13-11(3,4)5-6-14/h8-9,14H,5-7,12H2,1-4H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 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-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 104873418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).