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

C12H22N2O3 — CID 55164584

IUPAC2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C1(C)CCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-5-14(11(2,3)10(16)17)9(15)12(4)6-7-13-8-12/h13H,5-8H2,1-4H3,(H,16,17)
InChIKeyAGBXTWKAYVAEDZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds4

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

2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 55164584) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID55164584
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C1(C)CCNC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-5-14(11(2,3)10(16)17)9(15)12(4)6-7-13-8-12/h13H,5-8H2,1-4H3,(H,16,17)
InChIKeyAGBXTWKAYVAEDZ-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
N-ethyl-N-(2-hydroxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143706
N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81489802
3-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 63142000
2-[cyclopentyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141423
2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62930846
N-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140406
N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 63143490
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 63139219

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid (CID 55164584) is 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)C1(C)CCNC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is AGBXTWKAYVAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-14(11(2,3)10(16)17)9(15)12(4)6-7-13-8-12/h13H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55164584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).