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

C9H14N2O4 — CID 64582491

IUPAC2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-6(12)10-7(9(14)15)5-11-4-2-3-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyXHBSTRGMUOPCCW-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.80
Rot. Bonds4

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

2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 64582491) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID64582491
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1CCCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-6(12)10-7(9(14)15)5-11-4-2-3-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyXHBSTRGMUOPCCW-UHFFFAOYSA-N
XLogP-0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697
2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
CID 79469214
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
2-acetamido-3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propanoic acid
CID 79926747
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511158
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-acetamidopropanoic acid
CID 82749831
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]butanoic acid
CID 119223622
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
(2S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanedioic acid
CID 61151877

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid (CID 64582491) is 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid is CC(=O)NC(CN1CCCC1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is XHBSTRGMUOPCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(12)10-7(9(14)15)5-11-4-2-3-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid?
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 214.22 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 64582491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).