2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid

C12H23N3O3 — CID 63208770

IUPAC2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C12H23N3O3/c1-3-15(10-11(16)17)12(18)13(2)8-9-14-6-4-5-7-14/h3-10H2,1-2H3,(H,16,17)
InChIKeyHLUJIXKPLYSUQL-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.54
Rot. Bonds6

About 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid

2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid (PubChem CID 63208770) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
PubChem CID63208770
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C12H23N3O3/c1-3-15(10-11(16)17)12(18)13(2)8-9-14-6-4-5-7-14/h3-10H2,1-2H3,(H,16,17)
InChIKeyHLUJIXKPLYSUQL-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid (CID 63208770) is 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)CCN1CCCC1.
What is the InChIKey of 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
The InChIKey is HLUJIXKPLYSUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-15(10-11(16)17)12(18)13(2)8-9-14-6-4-5-7-14/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid?
2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63208770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).