1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide

C7H13NO2 — CID 127007168

IUPAC1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC1(C)CC(O)(C(N)=O)C1
InChIInChI=1S/C7H13NO2/c1-6(2)3-7(10,4-6)5(8)9/h10H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXMWGLQHIHOAMOY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.02
Rot. Bonds1

About 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide

1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide (PubChem CID 127007168) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide
PubChem CID127007168
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC1(C)CC(O)(C(N)=O)C1
InChIInChI=1S/C7H13NO2/c1-6(2)3-7(10,4-6)5(8)9/h10H,3-4H2,1-2H3,(H2,8,9)
InChIKeyXMWGLQHIHOAMOY-UHFFFAOYSA-N
XLogP0.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-1,3,3,5,5-pentahydroxycyclohexane-1-carboxamide
CID 143704751
1-hydroxycyclopentane-1-carboxamide
CID 12857769
1-(cyclopropylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 112682408
(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
CID 118555978
methyl 1-hydroxy-3,3-dimethylcyclopentane-1-carboxylate
CID 80700288
(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
CID 10909599
8-hydroxyspiro[4.5]decane-8-carboxamide
CID 114819912
(3S)-3-hydroxypyrrolidine-3-carboxamide
CID 97359016
3-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidine-3-carboxamide
CID 136541656
1-(1,4-diazepan-1-yl)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 115999198
3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 80706182
1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide
CID 80705706

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide (CID 127007168) is 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide is CC1(C)CC(O)(C(N)=O)C1.
What is the InChIKey of 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is XMWGLQHIHOAMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)3-7(10,4-6)5(8)9/h10H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide?
1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 143.19 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 127007168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).