1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide

C11H21N3O3 — CID 104553308

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
SMILESCC(CO)N(C)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C11H21N3O3/c1-8(7-15)14(2)10(16)11(9(12)13-17)5-3-4-6-11/h8,15,17H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDADRROZQKLECKG-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.13
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide (PubChem CID 104553308) 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-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
PubChem CID104553308
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
SMILESCC(CO)N(C)C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C11H21N3O3/c1-8(7-15)14(2)10(16)11(9(12)13-17)5-3-4-6-11/h8,15,17H,3-7H2,1-2H3,(H2,12,13)
InChIKeyDADRROZQKLECKG-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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-pentan-2-ylcyclopentane-1-carboxamide
CID 76920413
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)cycloheptane-1-carboxamide
CID 103955292
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 76920249
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 113426194
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 104876636
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80591437
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 104876644
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 103955283
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 80591516
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 79470174
N-(2-amino-2-oxoethyl)-1-(N'-hydroxycarbamimidoyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 76921107
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 76920095

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide (CID 104553308) is 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide is CC(CO)N(C)C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is DADRROZQKLECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(7-15)14(2)10(16)11(9(12)13-17)5-3-4-6-11/h8,15,17H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 0.13, 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 104553308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).