N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide

C14H25N3O3 — CID 80596877

IUPACN-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(CCO)C2CCCC2)(C(N)=NO)C1
InChIInChI=1S/C14H25N3O3/c1-10-8-14(9-10,12(15)16-20)13(19)17(6-7-18)11-4-2-3-5-11/h10-11,18,20H,2-9H2,1H3,(H2,15,16)
InChIKeyCRYPHYCEFVPEMQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.91
Rot. Bonds5

About N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide

N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80596877) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80596877
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(CCO)C2CCCC2)(C(N)=NO)C1
InChIInChI=1S/C14H25N3O3/c1-10-8-14(9-10,12(15)16-20)13(19)17(6-7-18)11-4-2-3-5-11/h10-11,18,20H,2-9H2,1H3,(H2,15,16)
InChIKeyCRYPHYCEFVPEMQ-UHFFFAOYSA-N
XLogP0.91
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.91
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

N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80599261
N-cyclohexyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80591352
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597461
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 76921369
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 113426194
N-butyl-N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597608
1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80590609
1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441773
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80596878
1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096453
N-cyclopropyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919861
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 104871098

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide (CID 80596877) is N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide is CC1CC(C(=O)N(CCO)C2CCCC2)(C(N)=NO)C1.
What is the InChIKey of N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is CRYPHYCEFVPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-8-14(9-10,12(15)16-20)13(19)17(6-7-18)11-4-2-3-5-11/h10-11,18,20H,2-9H2,1H3,(H2,15,16).
What are the key properties of N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide?
N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80596877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).