1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide

C11H21N3O3 — CID 113426194

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(C)C(C)CO)(C(N)=NO)C1
InChIInChI=1S/C11H21N3O3/c1-7-4-11(5-7,9(12)13-17)10(16)14(3)8(2)6-15/h7-8,15,17H,4-6H2,1-3H3,(H2,12,13)
InChIKeyTXJQHQZECVMXSV-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.01
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 113426194) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID113426194
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(C)C(C)CO)(C(N)=NO)C1
InChIInChI=1S/C11H21N3O3/c1-7-4-11(5-7,9(12)13-17)10(16)14(3)8(2)6-15/h7-8,15,17H,4-6H2,1-3H3,(H2,12,13)
InChIKeyTXJQHQZECVMXSV-UHFFFAOYSA-N
XLogP-0.01
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
CID 104553308
N-butan-2-yl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80597583
N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80597437
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 104871098
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80596878
N-cyclohexyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80591352
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-pentan-2-ylcyclopentane-1-carboxamide
CID 76920413
N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80596877
N-(4-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80598056
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80599261
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 80591516
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80590754

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide (CID 113426194) is 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide is CC1CC(C(=O)N(C)C(C)CO)(C(N)=NO)C1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is TXJQHQZECVMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7-4-11(5-7,9(12)13-17)10(16)14(3)8(2)6-15/h7-8,15,17H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 113426194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).