N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide

C8H17NO2 — CID 167034901

IUPACN-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)8(5-11-4)9-7(3)10/h6,8H,5H2,1-4H3,(H,9,10)/t8-/m1/s1
InChIKeyFZUQUKJQTQOGMI-MRVPVSSYSA-N
MW159.23 g/mol
LogP0.79
Rot. Bonds4

About N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide

N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide (PubChem CID 167034901) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
PubChem CID167034901
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
SMILESCOC[C@@H](NC(C)=O)C(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)8(5-11-4)9-7(3)10/h6,8H,5H2,1-4H3,(H,9,10)/t8-/m1/s1
InChIKeyFZUQUKJQTQOGMI-MRVPVSSYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
(3S,4S)-4-acetamido-5-methoxy-3-methylpentanoic acid
CID 97304447
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112692857
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 65048259
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65047437
3-acetamido-4-methylpentanoic acid
CID 22460001
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide (CID 167034901) is N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide is COC[C@@H](NC(C)=O)C(C)C.
What is the InChIKey of N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide?
The InChIKey is FZUQUKJQTQOGMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)8(5-11-4)9-7(3)10/h6,8H,5H2,1-4H3,(H,9,10)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide?
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide has a molecular weight of 159.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 167034901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).