N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide

C11H20N4O3 — CID 104865064

IUPACN-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C(=O)NCCNC(=O)C1CC1)C(N)=NO
InChIInChI=1S/C11H20N4O3/c1-11(2,9(12)15-18)10(17)14-6-5-13-8(16)7-3-4-7/h7,18H,3-6H2,1-2H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyLNFICYJRHJJYTO-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.60
Rot. Bonds6

About N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 104865064) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID104865064
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C(=O)NCCNC(=O)C1CC1)C(N)=NO
InChIInChI=1S/C11H20N4O3/c1-11(2,9(12)15-18)10(17)14-6-5-13-8(16)7-3-4-7/h7,18H,3-6H2,1-2H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyLNFICYJRHJJYTO-UHFFFAOYSA-N
XLogP-0.60
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 113481378
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
3-amino-3-hydroxyimino-2,2-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 76920555
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 106326717
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951227
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
CID 82944389
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
CID 104866162
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 76950134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide (CID 104865064) is N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide is CC(C)(C(=O)NCCNC(=O)C1CC1)C(N)=NO.
What is the InChIKey of N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is LNFICYJRHJJYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,9(12)15-18)10(17)14-6-5-13-8(16)7-3-4-7/h7,18H,3-6H2,1-2H3,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 104865064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).