2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide

C10H22N2O2 — CID 79250505

IUPAC2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@H](CO)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-11-10(14)6-12-9(7-13)8(2)3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)/t9-/m1/s1
InChIKeyLUBWORPDXGYHQK-SECBINFHSA-N
MW202.30 g/mol
LogP0.12
Rot. Bonds7

About 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide (PubChem CID 79250505) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
PubChem CID79250505
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@H](CO)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-11-10(14)6-12-9(7-13)8(2)3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)/t9-/m1/s1
InChIKeyLUBWORPDXGYHQK-SECBINFHSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
butyl 2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 79248871
2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 43567046
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
2-iodo-N-propylpropanamide
CID 64787589
3,4-dimethyl-N-propylpentanamide
CID 89425193

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide (CID 79250505) is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide is CCCNC(=O)CN[C@H](CO)C(C)C.
What is the InChIKey of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide?
The InChIKey is LUBWORPDXGYHQK-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-11-10(14)6-12-9(7-13)8(2)3/h8-9,12-13H,4-7H2,1-3H3,(H,11,14)/t9-/m1/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide?
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide has a molecular weight of 202.30 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 79250505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).