3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide

C11H22N4O2 — CID 76980068

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCCC1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-9(10(12)14-17)11(16)13-5-4-8-15-6-2-3-7-15/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16)
InChIKeyXNNMDLOIFCNTTE-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.03
Rot. Bonds6

About 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 76980068) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID76980068
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCCC1)C(N)=NO
InChIInChI=1S/C11H22N4O2/c1-9(10(12)14-17)11(16)13-5-4-8-15-6-2-3-7-15/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16)
InChIKeyXNNMDLOIFCNTTE-UHFFFAOYSA-N
XLogP-0.03
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
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

3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
CID 106240183
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 76980068) is 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide is CC(C(=O)NCCCN1CCCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is XNNMDLOIFCNTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(10(12)14-17)11(16)13-5-4-8-15-6-2-3-7-15/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 76980068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).