5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one

C13H26N2O2 — CID 104684988

IUPAC5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H26N2O2/c1-11(5-2-8-14)13(17)15-9-3-6-12(15)7-4-10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyKBFYIEHITUTEIK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds7

About 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one

5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one (PubChem CID 104684988) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
PubChem CID104684988
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H26N2O2/c1-11(5-2-8-14)13(17)15-9-3-6-12(15)7-4-10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyKBFYIEHITUTEIK-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-amino-2-methylpentan-1-one
CID 104685219
N-[[1-(5-amino-2-methylpentanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104684436
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55076215
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one
CID 83053688
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one
CID 62480817
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one (CID 104684988) is 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one is CC(CCCN)C(=O)N1CCCC1CCCO.
What is the InChIKey of 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
The InChIKey is KBFYIEHITUTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(5-2-8-14)13(17)15-9-3-6-12(15)7-4-10-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 104684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).