5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid

C8H9NO3 — CID 18513346

IUPAC5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid
SMILESO=C(O)C1C=CN2C(=O)CCC12
InChIInChI=1S/C8H9NO3/c10-7-2-1-6-5(8(11)12)3-4-9(6)7/h3-6H,1-2H2,(H,11,12)
InChIKeyKFAFLAQKRPTAKF-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.21
Rot. Bonds1

About 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid

5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid (PubChem CID 18513346) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid
PubChem CID18513346
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid
SMILESO=C(O)C1C=CN2C(=O)CCC12
InChIInChI=1S/C8H9NO3/c10-7-2-1-6-5(8(11)12)3-4-9(6)7/h3-6H,1-2H2,(H,11,12)
InChIKeyKFAFLAQKRPTAKF-UHFFFAOYSA-N
XLogP0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Carboxy carbacephem
CID 129701709
(S)-2-((S)-1-allyl-5-oxopyrrolidin-2-yl)pent-4-enoic acid
CID 177823745
2-(1-Ethenylpyrrolidin-2-yl)but-3-enoic acid
CID 90242654
2-(5-Oxopyrrolidin-2-yl)but-3-enoic acid
CID 175000273
2-(5-Oxo-1-prop-2-enylpyrrolidin-2-yl)pent-4-enoic acid
CID 177217695
methyl (3-oxo-2,3-dihydro-1H-pyrrolizin-7a(7H)-yl)acetate
CID 24975517
2-[1-(2-Cyclopent-2-en-1-ylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370067
2-[1-(2-Prop-2-enylpent-4-enoyl)pyrrolidin-2-yl]acetic acid
CID 121943628
3-Cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683709

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid?
The IUPAC name of 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid (CID 18513346) is 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid?
The canonical SMILES for 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid is O=C(O)C1C=CN2C(=O)CCC12.
What is the InChIKey of 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid?
The InChIKey is KFAFLAQKRPTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-7-2-1-6-5(8(11)12)3-4-9(6)7/h3-6H,1-2H2,(H,11,12).
What are the key properties of 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid?
5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,6,7,8-tetrahydropyrrolizine-1-carboxylic acid is sourced from PubChem (CID 18513346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).