(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide

C10H22N2O2 — CID 61173516

IUPAC(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H22N2O2/c1-5-7(2)8(11)9(14)12-10(3,4)6-13/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t7?,8-/m0/s1
InChIKeyIQTKDJPEVSFUPF-MQWKRIRWSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds5

About (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide (PubChem CID 61173516) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
PubChem CID61173516
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H22N2O2/c1-5-7(2)8(11)9(14)12-10(3,4)6-13/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t7?,8-/m0/s1
InChIKeyIQTKDJPEVSFUPF-MQWKRIRWSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
2-amino-N-(2-cyclopropylpropan-2-yl)-3-methylpentanamide
CID 103832973
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 113251121
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 61154008
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethoxyacetamide
CID 10375287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide (CID 61173516) is (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC(C)(C)CO.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide?
The InChIKey is IQTKDJPEVSFUPF-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-7(2)8(11)9(14)12-10(3,4)6-13/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide?
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 5 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-2-methylpropan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 61173516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).