4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one

C11H22N2O2 — CID 114797469

IUPAC4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCC(CCO)C1
InChIInChI=1S/C11H22N2O2/c1-9(12)2-3-11(15)13-6-4-10(8-13)5-7-14/h9-10,14H,2-8,12H2,1H3
InChIKeyHDHZUVWQJBZCEO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds5

About 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one

4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 114797469) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID114797469
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCC(CCO)C1
InChIInChI=1S/C11H22N2O2/c1-9(12)2-3-11(15)13-6-4-10(8-13)5-7-14/h9-10,14H,2-8,12H2,1H3
InChIKeyHDHZUVWQJBZCEO-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one
CID 114797462
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 115775093
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036526
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-3-oxopropanethioamide
CID 114797653
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968617
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one (CID 114797469) is 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCC(CCO)C1.
What is the InChIKey of 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is HDHZUVWQJBZCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12)2-3-11(15)13-6-4-10(8-13)5-7-14/h9-10,14H,2-8,12H2,1H3.
What are the key properties of 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one?
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 114797469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).