2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid

C16H28N2O3 — CID 83220118

IUPAC2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCC1CCC(C)N1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-3-13-10-9-11(2)18(13)16(21)17-14(15(19)20)12-7-5-4-6-8-12/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySANFKBWGGDGEJY-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.99
Rot. Bonds4

About 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 83220118) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID83220118
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESCCC1CCC(C)N1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-3-13-10-9-11(2)18(13)16(21)17-14(15(19)20)12-7-5-4-6-8-12/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySANFKBWGGDGEJY-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic 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-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
(2R)-4-amino-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005800
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83219110
2-cyclohexyl-2-[(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190973
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895316
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid (CID 83220118) is 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid is CCC1CCC(C)N1C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is SANFKBWGGDGEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-13-10-9-11(2)18(13)16(21)17-14(15(19)20)12-7-5-4-6-8-12/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 83220118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).