6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid

C14H24N2O3 — CID 60856961

IUPAC6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(3-1-2-4-14(18)19)15-9-11-7-8-16(10-11)12-5-6-12/h11-12H,1-10H2,(H,15,17)(H,18,19)
InChIKeyOREYNVSBVIMUGC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds8

About 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid

6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid (PubChem CID 60856961) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
PubChem CID60856961
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(3-1-2-4-14(18)19)15-9-11-7-8-16(10-11)12-5-6-12/h11-12H,1-10H2,(H,15,17)(H,18,19)
InChIKeyOREYNVSBVIMUGC-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
5-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 121494274
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
5-[[(3S)-1-cyclopentylpiperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125441266
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
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
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid (CID 60856961) is 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid?
The InChIKey is OREYNVSBVIMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(3-1-2-4-14(18)19)15-9-11-7-8-16(10-11)12-5-6-12/h11-12H,1-10H2,(H,15,17)(H,18,19).
What are the key properties of 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid?
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 60856961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).