N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide

C8H15NO2 — CID 102210912

IUPACN-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
SMILESCC(=O)N[C@@]1(CO)CC[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-6-3-4-8(6,5-10)9-7(2)11/h6,10H,3-5H2,1-2H3,(H,9,11)/t6-,8+/m0/s1
InChIKeyZHVQLISWWVJBMW-POYBYMJQSA-N
MW157.21 g/mol
LogP0.28
Rot. Bonds2

About N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide

N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide (PubChem CID 102210912) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
PubChem CID102210912
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
SMILESCC(=O)N[C@@]1(CO)CC[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-6-3-4-8(6,5-10)9-7(2)11/h6,10H,3-5H2,1-2H3,(H,9,11)/t6-,8+/m0/s1
InChIKeyZHVQLISWWVJBMW-POYBYMJQSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
CID 102210916
[2-methyl-1-(methylamino)cyclobutyl]methanol
CID 130555221
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
2-[[1-(aminomethyl)-2-methylcyclobutyl]amino]ethanol
CID 130554597
N-(1-cyclopropylcyclopropyl)acetamide
CID 131085975
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
[1-(cyclopentylamino)-2,5-dimethylcyclohexyl]methanol
CID 64754824
4-acetamido-3-methylpiperidine-4-carboxylic acid
CID 114500616
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
1-[(2S)-2-methyl-1-(methylamino)cyclobutyl]ethanone
CID 146800799
1-(1-ethyl-2-methylcyclobutyl)ethanone
CID 59190029
N-(1-ethylcyclopropyl)acetamide
CID 67691252

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide?
The IUPAC name of N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide (CID 102210912) is N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide is CC(=O)N[C@@]1(CO)CC[C@@H]1C.
What is the InChIKey of N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide?
The InChIKey is ZHVQLISWWVJBMW-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-8(6,5-10)9-7(2)11/h6,10H,3-5H2,1-2H3,(H,9,11)/t6-,8+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide?
N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide is sourced from PubChem (CID 102210912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).