4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid

C13H24N2O3 — CID 83220649

IUPAC4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
SMILESCCC1CCC(C)N1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-11-8-7-10(2)15(11)13(18)14(3)9-5-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyXFNNKSDUPJXANU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds5

About 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid

4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid (PubChem CID 83220649) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
PubChem CID83220649
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
SMILESCCC1CCC(C)N1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-11-8-7-10(2)15(11)13(18)14(3)9-5-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyXFNNKSDUPJXANU-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
3-[tert-butyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83219291
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 83219455
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
N-(3-aminopropyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpropanamide
CID 83228224
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
CID 43264449
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid (CID 83220649) is 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid is CCC1CCC(C)N1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid?
The InChIKey is XFNNKSDUPJXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-11-8-7-10(2)15(11)13(18)14(3)9-5-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid?
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 83220649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).