2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid

C11H19N3O4 — CID 106191674

IUPAC2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC1CNC(=O)C1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-4-14(11(2,3)9(16)17)10(18)13-7-5-8(15)12-6-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyXJTWODNKRVPJDI-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds4

About 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 106191674) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID106191674
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC1CNC(=O)C1)C(C)(C)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-4-14(11(2,3)9(16)17)10(18)13-7-5-8(15)12-6-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyXJTWODNKRVPJDI-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 106191674) is 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NC1CNC(=O)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is XJTWODNKRVPJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-4-14(11(2,3)9(16)17)10(18)13-7-5-8(15)12-6-7/h7H,4-6H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 106191674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).