N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide

C10H21NO3 — CID 103021223

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
SMILESCC[C@@H](CO)NC(=O)CC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-5-8(7-12)11-9(13)6-10(2,3)14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyCYFKSYYSYPGURB-QMMMGPOBSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds6

About N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide

N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide (PubChem CID 103021223) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
PubChem CID103021223
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
SMILESCC[C@@H](CO)NC(=O)CC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-5-8(7-12)11-9(13)6-10(2,3)14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyCYFKSYYSYPGURB-QMMMGPOBSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107214897
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide (CID 103021223) is N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide is CC[C@@H](CO)NC(=O)CC(C)(C)OC.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide?
The InChIKey is CYFKSYYSYPGURB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-8(7-12)11-9(13)6-10(2,3)14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide has a molecular weight of 203.28 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).