5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid

C15H26N2O3 — CID 121494274

IUPAC5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CCN(C2CCCC2)C1
InChIInChI=1S/C15H26N2O3/c18-14(6-3-7-15(19)20)16-10-12-8-9-17(11-12)13-4-1-2-5-13/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyHFUMWXRCERYLMV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds7

About 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid

5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid (PubChem CID 121494274) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
PubChem CID121494274
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CCN(C2CCCC2)C1
InChIInChI=1S/C15H26N2O3/c18-14(6-3-7-15(19)20)16-10-12-8-9-17(11-12)13-4-1-2-5-13/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyHFUMWXRCERYLMV-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-2-methoxyacetamide;formic acid
CID 154907735
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid (CID 121494274) is 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC1CCN(C2CCCC2)C1.
What is the InChIKey of 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is HFUMWXRCERYLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(6-3-7-15(19)20)16-10-12-8-9-17(11-12)13-4-1-2-5-13/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 121494274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).