2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide

C11H22N4O2 — CID 76925984

IUPAC2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCN(C)C1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-7(2)9(10(12)14-17)11(16)13-8-4-5-15(3)6-8/h7-9,17H,4-6H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyJARUMICMJGLGBO-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.17
Rot. Bonds4

About 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide

2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 76925984) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID76925984
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCN(C)C1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-7(2)9(10(12)14-17)11(16)13-8-4-5-15(3)6-8/h7-9,17H,4-6H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyJARUMICMJGLGBO-UHFFFAOYSA-N
XLogP-0.17
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.17
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-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926150
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 76924598
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925170
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
N-(1,1-dioxothian-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77013110
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77011321
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103968213
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide (CID 76925984) is 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide is CC(C)C(C(=O)NC1CCN(C)C1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is JARUMICMJGLGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-7(2)9(10(12)14-17)11(16)13-8-4-5-15(3)6-8/h7-9,17H,4-6H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 242.32 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 76925984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).