3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid

C12H22N2O3 — CID 79385001

IUPAC3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)C1CCNC1C
InChIInChI=1S/C12H22N2O3/c1-4-14(7-8(2)12(16)17)11(15)10-5-6-13-9(10)3/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyWSAJAFTXVNHIQI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.55
Rot. Bonds5

About 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid

3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 79385001) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID79385001
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)C1CCNC1C
InChIInChI=1S/C12H22N2O3/c1-4-14(7-8(2)12(16)17)11(15)10-5-6-13-9(10)3/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyWSAJAFTXVNHIQI-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic 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

ethyl 2-[2-methylpropyl-(2-methylpyrrolidine-3-carbonyl)amino]acetate
CID 79388606
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 79389330
N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79389328
2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79389026
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80750843
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 104855658
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
3-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 63997577
N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389256
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylpyrrolidine-3-carboxamide
CID 79389175
N-heptyl-N-(3-hydroxypropyl)-2-methylpyrrolidine-3-carboxamide
CID 79388298

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid (CID 79385001) is 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)C1CCNC1C.
What is the InChIKey of 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is WSAJAFTXVNHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-14(7-8(2)12(16)17)11(15)10-5-6-13-9(10)3/h8-10,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79385001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).