3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid

C12H21N3O4 — CID 106257764

IUPAC3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NC1CCN(C)C1=O)C(C)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-15(8(2)7-10(16)17)12(19)13-9-5-6-14(3)11(9)18/h8-9H,4-7H2,1-3H3,(H,13,19)(H,16,17)
InChIKeyFKRCWNANEYLIRI-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.11
Rot. Bonds5

About 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid

3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid (PubChem CID 106257764) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
PubChem CID106257764
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NC1CCN(C)C1=O)C(C)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-15(8(2)7-10(16)17)12(19)13-9-5-6-14(3)11(9)18/h8-9H,4-7H2,1-3H3,(H,13,19)(H,16,17)
InChIKeyFKRCWNANEYLIRI-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid (CID 106257764) is 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid is CCN(C(=O)NC1CCN(C)C1=O)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid?
The InChIKey is FKRCWNANEYLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-4-15(8(2)7-10(16)17)12(19)13-9-5-6-14(3)11(9)18/h8-9H,4-7H2,1-3H3,(H,13,19)(H,16,17).
What are the key properties of 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid?
3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 106257764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).