N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide

C8H15N3O2 — CID 76925874

IUPACN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H15N3O2/c1-2-6(7(9)11-13)8(12)10-5-3-4-5/h5-6,13H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyNQNWZQPFSPWQIW-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.04
Rot. Bonds4

About N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76925874) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76925874
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H15N3O2/c1-2-6(7(9)11-13)8(12)10-5-3-4-5/h5-6,13H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyNQNWZQPFSPWQIW-UHFFFAOYSA-N
XLogP0.04
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
CID 76924883
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107856119
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76925874) is N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NC1CC1)C(N)=NO.
What is the InChIKey of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is NQNWZQPFSPWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-6(7(9)11-13)8(12)10-5-3-4-5/h5-6,13H,2-4H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 185.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76925874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).