1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide

C10H19N3O3 — CID 104864106

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=NO)CC1)C(C)(C)CO
InChIInChI=1S/C10H19N3O3/c1-9(2,6-14)13(3)8(15)10(4-5-10)7(11)12-16/h14,16H,4-6H2,1-3H3,(H2,11,12)
InChIKeyPANIEVXTJPXGGW-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.26
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 104864106) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID104864106
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=NO)CC1)C(C)(C)CO
InChIInChI=1S/C10H19N3O3/c1-9(2,6-14)13(3)8(15)10(4-5-10)7(11)12-16/h14,16H,4-6H2,1-3H3,(H2,11,12)
InChIKeyPANIEVXTJPXGGW-UHFFFAOYSA-N
XLogP-0.26
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.26
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-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 80591516
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 80597605
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 80597509
4-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79385785
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
CID 104553308
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80596971
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107482217
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
CID 80594392
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 104871085
1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80596883
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597766
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80594713

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide (CID 104864106) is 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(C(N)=NO)CC1)C(C)(C)CO.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is PANIEVXTJPXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-9(2,6-14)13(3)8(15)10(4-5-10)7(11)12-16/h14,16H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.26, 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-hydroxy-2-methylpropan-2-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 104864106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).