1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid

C12H18N2O3 — CID 54968301

IUPAC1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCN3CCCC23)C1
InChIInChI=1S/C12H18N2O3/c15-11-6-8(12(16)17)7-14(11)10-3-5-13-4-1-2-9(10)13/h8-10H,1-7H2,(H,16,17)
InChIKeyQXDVPIGAGNVZHR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.16
Rot. Bonds2

About 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 54968301) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID54968301
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(C2CCN3CCCC23)C1
InChIInChI=1S/C12H18N2O3/c15-11-6-8(12(16)17)7-14(11)10-3-5-13-4-1-2-9(10)13/h8-10H,1-7H2,(H,16,17)
InChIKeyQXDVPIGAGNVZHR-UHFFFAOYSA-N
XLogP0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)pyrrolidine-3-carboxylic acid
CID 114239193
1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 62086742
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 82857025
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 117005579
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 168695572
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 54968301) is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(C2CCN3CCCC23)C1.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is QXDVPIGAGNVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-11-6-8(12(16)17)7-14(11)10-3-5-13-4-1-2-9(10)13/h8-10H,1-7H2,(H,16,17).
What are the key properties of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 54968301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).