1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid

C16H22N2O3 — CID 106975988

IUPAC1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H22N2O3/c1-3-7-16(15(20)21)8-4-9-18(16)14(19)12-6-5-11(2)13(17)10-12/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,20,21)
InChIKeyIZIQLEXRZNQFBV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds4

About 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106975988) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106975988
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H22N2O3/c1-3-7-16(15(20)21)8-4-9-18(16)14(19)12-6-5-11(2)13(17)10-12/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,20,21)
InChIKeyIZIQLEXRZNQFBV-UHFFFAOYSA-N
XLogP2.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977027
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976953
2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977153
1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977067
1-(2-amino-5-methylbenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070726
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106975988) is 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is IZIQLEXRZNQFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-7-16(15(20)21)8-4-9-18(16)14(19)12-6-5-11(2)13(17)10-12/h5-6,10H,3-4,7-9,17H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106975988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).