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

C11H20N2O3 — CID 83218784

IUPAC2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCCC1CCC(C)N1C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-9-6-5-7(2)13(9)11(16)12-8(3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyDACNHCYPMXUAJI-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds3

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

2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 83218784) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID83218784
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCCC1CCC(C)N1C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-9-6-5-7(2)13(9)11(16)12-8(3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyDACNHCYPMXUAJI-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 83220118
(2R)-4-amino-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005800
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 97255946
(2R,5S)-2-ethyl-5-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 98856004
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895316

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 83218784) is 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid is CCC1CCC(C)N1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DACNHCYPMXUAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-9-6-5-7(2)13(9)11(16)12-8(3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid?
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 3 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]propanoic acid is sourced from PubChem (CID 83218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).