2-[2-cyanoethyl(propyl)amino]acetic acid;ethane

C10H20N2O2 — CID 143432477

IUPAC2-[2-cyanoethyl(propyl)amino]acetic acid;ethane
SMILESCC.CCCN(CCC#N)CC(=O)O
InChIInChI=1S/C8H14N2O2.C2H6/c1-2-5-10(6-3-4-9)7-8(11)12;1-2/h2-3,5-7H2,1H3,(H,11,12);1-2H3
InChIKeyBZXFUANVZGVGJB-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane

2-[2-cyanoethyl(propyl)amino]acetic acid;ethane (PubChem CID 143432477) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane.

Molecular Properties

Compound Name2-[2-cyanoethyl(propyl)amino]acetic acid;ethane
PubChem CID143432477
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[2-cyanoethyl(propyl)amino]acetic acid;ethane
SMILESCC.CCCN(CCC#N)CC(=O)O
InChIInChI=1S/C8H14N2O2.C2H6/c1-2-5-10(6-3-4-9)7-8(11)12;1-2/h2-3,5-7H2,1H3,(H,11,12);1-2H3
InChIKeyBZXFUANVZGVGJB-UHFFFAOYSA-N
XLogP1.72
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane?
The IUPAC name of 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane (CID 143432477) is 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane.
What is the SMILES notation for 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane?
The canonical SMILES for 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane is CC.CCCN(CCC#N)CC(=O)O.
What is the InChIKey of 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane?
The InChIKey is BZXFUANVZGVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2H6/c1-2-5-10(6-3-4-9)7-8(11)12;1-2/h2-3,5-7H2,1H3,(H,11,12);1-2H3.
What are the key properties of 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane?
2-[2-cyanoethyl(propyl)amino]acetic acid;ethane has a molecular weight of 200.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(propyl)amino]acetic acid;ethane is sourced from PubChem (CID 143432477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).