2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid

C10H16N2O4 — CID 114898938

IUPAC2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCC(C(=O)O)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O4/c1-7(10(15)16)9(14)11-6-8(13)12-4-2-3-5-12/h7H,2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyVMXWCIBLAICYEH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.55
Rot. Bonds4

About 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid

2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid (PubChem CID 114898938) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
PubChem CID114898938
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCC(C(=O)O)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O4/c1-7(10(15)16)9(14)11-6-8(13)12-4-2-3-5-12/h7H,2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyVMXWCIBLAICYEH-UHFFFAOYSA-N
XLogP-0.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-3-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 114898939
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
N-[2-(azetidin-1-yl)-2-oxoethyl]acetamide
CID 121325487
[3-methyl-2,4-dioxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butyl] 3-hydroxyheptanoate
CID 143532580
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468727
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
1-(2-methylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thiourea
CID 115576760
1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 110312214
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid (CID 114898938) is 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid is CC(C(=O)O)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The InChIKey is VMXWCIBLAICYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(10(15)16)9(14)11-6-8(13)12-4-2-3-5-12/h7H,2-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid?
2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 114898938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).