3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid

C14H26N2O3 — CID 83219455

IUPAC3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1CCC(C)N1C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-12-8-7-11(4)16(12)14(19)15(6-2)9-10(3)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyHBAKKMSOWCSYHH-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds5

About 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid

3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 83219455) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID83219455
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1CCC(C)N1C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-12-8-7-11(4)16(12)14(19)15(6-2)9-10(3)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyHBAKKMSOWCSYHH-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 83220649
3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123307
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 62890249
3-[tert-butyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83219291
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
(2R)-4-amino-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005800
3-[(2R,6S)-2-ethyl-6-methylpiperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 131963736
3-[ethyl-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114798871

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 83219455) is 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid is CCC1CCC(C)N1C(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HBAKKMSOWCSYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-12-8-7-11(4)16(12)14(19)15(6-2)9-10(3)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83219455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).