2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid

C6H12N2O2 — CID 89355989

IUPAC2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid
SMILESC=C(CNC)NCC(=O)O
InChIInChI=1S/C6H12N2O2/c1-5(3-7-2)8-4-6(9)10/h7-8H,1,3-4H2,2H3,(H,9,10)
InChIKeyISJVZCLMHOPRBF-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.61
Rot. Bonds5

About 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid

2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid (PubChem CID 89355989) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid
PubChem CID89355989
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid
SMILESC=C(CNC)NCC(=O)O
InChIInChI=1S/C6H12N2O2/c1-5(3-7-2)8-4-6(9)10/h7-8H,1,3-4H2,2H3,(H,9,10)
InChIKeyISJVZCLMHOPRBF-UHFFFAOYSA-N
XLogP-0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid?
The IUPAC name of 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid (CID 89355989) is 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid is C=C(CNC)NCC(=O)O.
What is the InChIKey of 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid?
The InChIKey is ISJVZCLMHOPRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(3-7-2)8-4-6(9)10/h7-8H,1,3-4H2,2H3,(H,9,10).
What are the key properties of 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid?
2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid has a molecular weight of 144.17 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)prop-1-en-2-ylamino]acetic acid is sourced from PubChem (CID 89355989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).