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

C13H22N2O3 — CID 54927021

IUPAC5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(2-1-3-13(17)18)14-8-10-6-7-15(9-10)11-4-5-11/h10-11H,1-9H2,(H,14,16)(H,17,18)
InChIKeyDJNXKWBRTGZYPH-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds7

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

5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid (PubChem CID 54927021) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
PubChem CID54927021
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(2-1-3-13(17)18)14-8-10-6-7-15(9-10)11-4-5-11/h10-11H,1-9H2,(H,14,16)(H,17,18)
InChIKeyDJNXKWBRTGZYPH-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propanamide
CID 154783461
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63876316

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid (CID 54927021) is 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is DJNXKWBRTGZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(2-1-3-13(17)18)14-8-10-6-7-15(9-10)11-4-5-11/h10-11H,1-9H2,(H,14,16)(H,17,18).
What are the key properties of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid?
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 54927021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).