1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 106976030

IUPAC1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1CCCCCC1N
InChIInChI=1S/C16H28N2O3/c1-2-9-16(15(20)21)10-6-11-18(16)14(19)12-7-4-3-5-8-13(12)17/h12-13H,2-11,17H2,1H3,(H,20,21)
InChIKeyQUXBQOQGDXUZHT-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976030) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976030
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1CCCCCC1N
InChIInChI=1S/C16H28N2O3/c1-2-9-16(15(20)21)10-6-11-18(16)14(19)12-7-4-3-5-8-13(12)17/h12-13H,2-11,17H2,1H3,(H,20,21)
InChIKeyQUXBQOQGDXUZHT-UHFFFAOYSA-N
XLogP2.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-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

1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960
1-(5-oxopyrrolidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977188
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2-ethylpiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978208
1-(4-methylazepane-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978424
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106976030) is 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C1CCCCCC1N.
What is the InChIKey of 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is QUXBQOQGDXUZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-9-16(15(20)21)10-6-11-18(16)14(19)12-7-4-3-5-8-13(12)17/h12-13H,2-11,17H2,1H3,(H,20,21).
What are the key properties of 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).