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

C13H26N2O3 — CID 81088440

IUPAC2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H26N2O3/c1-18-10-4-7-12(14)13(17)15-8-2-5-11(15)6-3-9-16/h11-12,16H,2-10,14H2,1H3
InChIKeySRZGFZPJAHFYGO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.50
Rot. Bonds8

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

2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one (PubChem CID 81088440) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
PubChem CID81088440
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H26N2O3/c1-18-10-4-7-12(14)13(17)15-8-2-5-11(15)6-3-9-16/h11-12,16H,2-10,14H2,1H3
InChIKeySRZGFZPJAHFYGO-UHFFFAOYSA-N
XLogP0.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one (CID 81088440) is 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one is COCCCC(N)C(=O)N1CCCC1CCCO.
What is the InChIKey of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
The InChIKey is SRZGFZPJAHFYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-18-10-4-7-12(14)13(17)15-8-2-5-11(15)6-3-9-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one is sourced from PubChem (CID 81088440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).