2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid

C13H24N2O2 — CID 63907207

IUPAC2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
SMILESCCCNC(CN1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-7-14-13(12(16)17,11-5-6-11)10-15-8-3-4-9-15/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyLFVYYBFWHSIVFG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.32
Rot. Bonds7

About 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid

2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 63907207) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
PubChem CID63907207
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
SMILESCCCNC(CN1CCCC1)(C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-7-14-13(12(16)17,11-5-6-11)10-15-8-3-4-9-15/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyLFVYYBFWHSIVFG-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663
2-cyclopropyl-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63910372
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanamide
CID 63910704
2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
CID 63927012
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid (CID 63907207) is 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid is CCCNC(CN1CCCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is LFVYYBFWHSIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-7-14-13(12(16)17,11-5-6-11)10-15-8-3-4-9-15/h11,14H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid?
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 63907207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).