3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid

C11H20N2O3 — CID 60839017

IUPAC3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
SMILESCCCNC(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-2-6-12-10(14)8-13(9-3-4-9)7-5-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyVKIIIFFLXDKUTR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds8

About 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid

3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid (PubChem CID 60839017) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
PubChem CID60839017
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
SMILESCCCNC(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-2-6-12-10(14)8-13(9-3-4-9)7-5-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyVKIIIFFLXDKUTR-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid (CID 60839017) is 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid is CCCNC(=O)CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid?
The InChIKey is VKIIIFFLXDKUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-6-12-10(14)8-13(9-3-4-9)7-5-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid?
3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 60839017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).