3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide

C9H18N4O2 — CID 76947376

IUPAC3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNC(CC(=O)NCCN1CCCC1)=NO
InChIInChI=1S/C9H18N4O2/c10-8(12-15)7-9(14)11-3-6-13-4-1-2-5-13/h15H,1-7H2,(H2,10,12)(H,11,14)
InChIKeyOXWUDVQPXQBOQT-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.67
Rot. Bonds5

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

3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 76947376) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID76947376
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNC(CC(=O)NCCN1CCCC1)=NO
InChIInChI=1S/C9H18N4O2/c10-8(12-15)7-9(14)11-3-6-13-4-1-2-5-13/h15H,1-7H2,(H2,10,12)(H,11,14)
InChIKeyOXWUDVQPXQBOQT-UHFFFAOYSA-N
XLogP-0.67
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.67
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

3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide
CID 77031116
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79854985
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 76947376) is 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide is NC(CC(=O)NCCN1CCCC1)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is OXWUDVQPXQBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c10-8(12-15)7-9(14)11-3-6-13-4-1-2-5-13/h15H,1-7H2,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 214.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 76947376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).