3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C15H24N2O3 — CID 64835591

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C15H24N2O3/c1-15(2)11(12(15)14(19)20)13(18)16-9-6-8-17-7-4-3-5-10(9)17/h9-12H,3-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySYTUJJSCFMTYKK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.09
Rot. Bonds3

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835591) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835591
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C15H24N2O3/c1-15(2)11(12(15)14(19)20)13(18)16-9-6-8-17-7-4-3-5-10(9)17/h9-12H,3-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySYTUJJSCFMTYKK-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
CID 94121437
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
CID 65465504
3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857971
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
CID 100570398
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
CID 119857973

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835591) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NC1CCN2CCCCC12.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is SYTUJJSCFMTYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2)11(12(15)14(19)20)13(18)16-9-6-8-17-7-4-3-5-10(9)17/h9-12H,3-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).