trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide

C8H14N2O2 — CID 71513961

IUPACtrans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)[C@H]1CC[C@@H]1NC(C)=O
InChIInChI=1S/C8H14N2O2/c1-5(11)10-7-4-3-6(7)8(12)9-2/h6-7H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-,7-/m0/s1
InChIKeyREVGUQWBIPJYOE-BQBZGAKWSA-N
MW170.21 g/mol
LogP-0.35
Rot. Bonds2

About trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide

trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide (PubChem CID 71513961) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
PubChem CID71513961
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nametrans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)[C@H]1CC[C@@H]1NC(C)=O
InChIInChI=1S/C8H14N2O2/c1-5(11)10-7-4-3-6(7)8(12)9-2/h6-7H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-,7-/m0/s1
InChIKeyREVGUQWBIPJYOE-BQBZGAKWSA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
CID 89112285
N-methyl-2-(methylamino)cyclopropane-1-carboxamide
CID 134458689
dimethyl (1R,3S,4S)-4-acetamidocyclohexane-1,3-dicarboxylate
CID 11859526
trans-(1R,2R)-2-[(2-chloro-2,2-difluoroacetyl)amino]-N-methylcyclohexane-1-carboxamide
CID 99697543
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
cis-(1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 9442541
N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide
CID 166978311
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
CID 97251779

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide (CID 71513961) is trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide is CNC(=O)[C@H]1CC[C@@H]1NC(C)=O.
What is the InChIKey of trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide?
The InChIKey is REVGUQWBIPJYOE-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(11)10-7-4-3-6(7)8(12)9-2/h6-7H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide?
trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-acetamido-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 71513961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).