4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid

C14H25N3O4 — CID 106191609

IUPAC4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)NC1CNC(=O)C1)CCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-2-3-10(4-5-13(19)20)6-7-15-14(21)17-11-8-12(18)16-9-11/h10-11H,2-9H2,1H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyGBVCNAHXLIXGQP-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.85
Rot. Bonds9

About 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid

4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid (PubChem CID 106191609) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
PubChem CID106191609
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)NC1CNC(=O)C1)CCC(=O)O
InChIInChI=1S/C14H25N3O4/c1-2-3-10(4-5-13(19)20)6-7-15-14(21)17-11-8-12(18)16-9-11/h10-11H,2-9H2,1H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyGBVCNAHXLIXGQP-UHFFFAOYSA-N
XLogP0.85
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid (CID 106191609) is 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid is CCCC(CCNC(=O)NC1CNC(=O)C1)CCC(=O)O.
What is the InChIKey of 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid?
The InChIKey is GBVCNAHXLIXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-3-10(4-5-13(19)20)6-7-15-14(21)17-11-8-12(18)16-9-11/h10-11H,2-9H2,1H3,(H,16,18)(H,19,20)(H2,15,17,21).
What are the key properties of 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid?
4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.85, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid is sourced from PubChem (CID 106191609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).