3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H27N3O3 — CID 107324628

IUPAC3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(N(C)C(=O)CN2CCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11-3-5-12(6-4-11)17(2)13(19)9-18-8-7-15(16,10-18)14(20)21/h11-12H,3-10,16H2,1-2H3,(H,20,21)
InChIKeyYRUOIYMVMQJBAJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.51
Rot. Bonds4

About 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324628) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324628
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCC(N(C)C(=O)CN2CCC(N)(C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11-3-5-12(6-4-11)17(2)13(19)9-18-8-7-15(16,10-18)14(20)21/h11-12H,3-10,16H2,1-2H3,(H,20,21)
InChIKeyYRUOIYMVMQJBAJ-UHFFFAOYSA-N
XLogP0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-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

3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324654
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324601
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78963930
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
N-cyclohexyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylacetamide
CID 113249858
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 115966781
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
N-methyl-N-(4-methylcyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55409131
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119926559
2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324628) is 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC1CCC(N(C)C(=O)CN2CCC(N)(C(=O)O)C2)CC1.
What is the InChIKey of 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YRUOIYMVMQJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-3-5-12(6-4-11)17(2)13(19)9-18-8-7-15(16,10-18)14(20)21/h11-12H,3-10,16H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).