2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide

C10H19N3O3 — CID 82749463

IUPAC2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide
SMILESCCC(C(=O)N(C)C1CCOC1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-3-8(9(11)12-15)10(14)13(2)7-4-5-16-6-7/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyZFUYFZYWKLVKTP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.01
Rot. Bonds4

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

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide (PubChem CID 82749463) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide
PubChem CID82749463
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide
SMILESCCC(C(=O)N(C)C1CCOC1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-3-8(9(11)12-15)10(14)13(2)7-4-5-16-6-7/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyZFUYFZYWKLVKTP-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
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

3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 82748788
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)butanamide
CID 82749456
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
3-amino-N,2-dimethyl-N-(oxolan-3-yl)butanamide;hydrochloride
CID 120500471
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76926674
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82749018
2-amino-1-methyl-1-(oxolan-3-yl)guanidine
CID 82740357
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide (CID 82749463) is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide is CCC(C(=O)N(C)C1CCOC1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide?
The InChIKey is ZFUYFZYWKLVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-8(9(11)12-15)10(14)13(2)7-4-5-16-6-7/h7-8,15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide has a molecular weight of 229.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(oxolan-3-yl)butanamide is sourced from PubChem (CID 82749463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).