2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid

C11H18N2O4 — CID 55007881

IUPAC2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-8(11(16)17)6-12(2)10(15)7-13-5-3-4-9(13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyOILFUVUWIAIHRZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.21
Rot. Bonds5

About 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 55007881) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
PubChem CID55007881
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-8(11(16)17)6-12(2)10(15)7-13-5-3-4-9(13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyOILFUVUWIAIHRZ-UHFFFAOYSA-N
XLogP-0.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-[methyl-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]propanoic acid
CID 124689242
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
2-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842030
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
N-(1-aminopropan-2-yl)-N-methyl-2-(2-oxoazepan-1-yl)acetamide;hydrochloride
CID 119582890
N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 124733964
3-[[2-(2-oxoazepan-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830738
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119435273
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
2-methyl-3-[methyl-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]propanoic acid
CID 126786563
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 99840043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid (CID 55007881) is 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid is CC(CN(C)C(=O)CN1CCCC1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is OILFUVUWIAIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(11(16)17)6-12(2)10(15)7-13-5-3-4-9(13)14/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 55007881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).