2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid

C10H17N3O5 — CID 54949838

IUPAC2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCN1CCC(NC(=O)NC(=O)COCC(=O)O)C1
InChIInChI=1S/C10H17N3O5/c1-13-3-2-7(4-13)11-10(17)12-8(14)5-18-6-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,11,12,14,17)
InChIKeyGASVPLIQSYSTJD-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.38
Rot. Bonds5

About 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 54949838) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID54949838
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESCN1CCC(NC(=O)NC(=O)COCC(=O)O)C1
InChIInChI=1S/C10H17N3O5/c1-13-3-2-7(4-13)11-10(17)12-8(14)5-18-6-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,11,12,14,17)
InChIKeyGASVPLIQSYSTJD-UHFFFAOYSA-N
XLogP-1.38
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 54949838) is 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid is CN1CCC(NC(=O)NC(=O)COCC(=O)O)C1.
What is the InChIKey of 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is GASVPLIQSYSTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-13-3-2-7(4-13)11-10(17)12-8(14)5-18-6-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 259.26 g/mol, XLogP of -1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 54949838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).