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

C13H26N2O2 — CID 62480098

IUPAC2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H26N2O2/c1-2-3-8-12(14)13(17)15-9-4-6-11(15)7-5-10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyYUSPJMXPHMUEET-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.27
Rot. Bonds7

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

2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 62480098) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID62480098
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H26N2O2/c1-2-3-8-12(14)13(17)15-9-4-6-11(15)7-5-10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyYUSPJMXPHMUEET-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 63395935
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 62717355
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55076215
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one (CID 62480098) is 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCCC1CCCO.
What is the InChIKey of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is YUSPJMXPHMUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-8-12(14)13(17)15-9-4-6-11(15)7-5-10-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one?
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 62480098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).