(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide

C10H22N2O2 — CID 104551700

IUPAC(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)C(C)CO
InChIInChI=1S/C10H22N2O2/c1-7(2)5-9(11)10(14)12(4)8(3)6-13/h7-9,13H,5-6,11H2,1-4H3/t8?,9-/m0/s1
InChIKeyVZHLONNRSAYYKN-GKAPJAKFSA-N
MW202.30 g/mol
LogP0.20
Rot. Bonds5

About (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide

(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide (PubChem CID 104551700) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
PubChem CID104551700
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)C(C)CO
InChIInChI=1S/C10H22N2O2/c1-7(2)5-9(11)10(14)12(4)8(3)6-13/h7-9,13H,5-6,11H2,1-4H3/t8?,9-/m0/s1
InChIKeyVZHLONNRSAYYKN-GKAPJAKFSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
CID 60939070
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
CID 104551595
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide (CID 104551700) is (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide is CC(C)C[C@H](N)C(=O)N(C)C(C)CO.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide?
The InChIKey is VZHLONNRSAYYKN-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)5-9(11)10(14)12(4)8(3)6-13/h7-9,13H,5-6,11H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide?
(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide is sourced from PubChem (CID 104551700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).