2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid

C14H26N2O3 — CID 83218786

IUPAC2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC1CCC(C)N1C(=O)NCC(C)(CC)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11-8-7-10(3)16(11)13(19)15-9-14(4,6-2)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYLHIFYAMUWBLCX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid

2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 83218786) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid
PubChem CID83218786
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC1CCC(C)N1C(=O)NCC(C)(CC)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11-8-7-10(3)16(11)13(19)15-9-14(4,6-2)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYLHIFYAMUWBLCX-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-ethylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 104691013
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 83220540
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 106836780
(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
3-[tert-butyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83219291
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
1-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83219110

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid (CID 83218786) is 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid is CCC1CCC(C)N1C(=O)NCC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is YLHIFYAMUWBLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11-8-7-10(3)16(11)13(19)15-9-14(4,6-2)12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 83218786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).