2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid

C12H20N2O4 — CID 62818498

IUPAC2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCN1CC(C(=O)N(C)C(C)(C)C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-5-14-7-8(6-9(14)15)10(16)13(4)12(2,3)11(17)18/h8H,5-7H2,1-4H3,(H,17,18)
InChIKeyVMIFRIAWNBDMNL-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.18
Rot. Bonds4

About 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62818498) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID62818498
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCCN1CC(C(=O)N(C)C(C)(C)C(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-5-14-7-8(6-9(14)15)10(16)13(4)12(2,3)11(17)18/h8H,5-7H2,1-4H3,(H,17,18)
InChIKeyVMIFRIAWNBDMNL-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008085
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
2-methyl-2-[methyl-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119199896
2-methyl-2-[methyl-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119200517
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
3-[ethyl-(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 62826701
ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate
CID 55003925
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546
N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid (CID 62818498) is 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid is CCN1CC(C(=O)N(C)C(C)(C)C(=O)O)CC1=O.
What is the InChIKey of 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is VMIFRIAWNBDMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-14-7-8(6-9(14)15)10(16)13(4)12(2,3)11(17)18/h8H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).