N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

C10H18N4O3 — CID 114167667

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C(N)=NO)CC1)C(N)=O
InChIInChI=1S/C10H18N4O3/c1-9(2,7(12)15)5-13-8(16)10(3-4-10)6(11)14-17/h17H,3-5H2,1-2H3,(H2,11,14)(H2,12,15)(H,13,16)
InChIKeyMSXMHHKBFBYXJS-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.86
Rot. Bonds5

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 114167667) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID114167667
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C(N)=NO)CC1)C(N)=O
InChIInChI=1S/C10H18N4O3/c1-9(2,7(12)15)5-13-8(16)10(3-4-10)6(11)14-17/h17H,3-5H2,1-2H3,(H2,11,14)(H2,12,15)(H,13,16)
InChIKeyMSXMHHKBFBYXJS-UHFFFAOYSA-N
XLogP-0.86
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
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

4-(N'-hydroxycarbamimidoyl)-N-(2-methyl-2-methylsulfanylpropyl)oxane-4-carboxamide
CID 104864549
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-carbamothioyloxane-4-carboxamide
CID 106277374
1-(N'-hydroxycarbamimidoyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80596883
1-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylpropyl)cyclopropane-1-carboxamide
CID 104861520
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593590
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexyl)cyclopropane-1-carboxamide
CID 115326796
N-tert-butyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920747
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
CID 104873764
N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80593987

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 114167667) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(C(N)=NO)CC1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is MSXMHHKBFBYXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-9(2,7(12)15)5-13-8(16)10(3-4-10)6(11)14-17/h17H,3-5H2,1-2H3,(H2,11,14)(H2,12,15)(H,13,16).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114167667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).