2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid

C11H20N2O3 — CID 64581919

IUPAC2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
SMILESCCC1CCCN1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-9-5-4-6-13(9)7-10(11(15)16)12-8(2)14/h9-10H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMDHYKRJCECKEOR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid

2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid (PubChem CID 64581919) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
PubChem CID64581919
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
SMILESCCC1CCCN1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-9-5-4-6-13(9)7-10(11(15)16)12-8(2)14/h9-10H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMDHYKRJCECKEOR-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid
CID 64581322
methyl 2-acetamido-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 65474978
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-acetamidopropanoic acid
CID 82749831
methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
CID 83055490
2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
CID 64581514
(2R)-3-(2-ethylpyrrolidin-1-yl)-2-hydroxypropanamide
CID 69367604
2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
CID 64581512
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
2-acetamido-3-(4-methoxy-2-methylpiperidin-1-yl)propanoic acid
CID 114221286
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
2-acetamido-3-(3-ethylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66377896

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid (CID 64581919) is 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid is CCC1CCCN1CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid?
The InChIKey is MDHYKRJCECKEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-9-5-4-6-13(9)7-10(11(15)16)12-8(2)14/h9-10H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid?
2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 64581919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).