2-[methyl-(prop-2-enylamino)amino]acetic acid

C6H12N2O2 — CID 87574242

IUPAC2-[methyl-(prop-2-enylamino)amino]acetic acid
SMILESC=CCNN(C)CC(=O)O
InChIInChI=1S/C6H12N2O2/c1-3-4-7-8(2)5-6(9)10/h3,7H,1,4-5H2,2H3,(H,9,10)
InChIKeyXBPKEXRMSULHOK-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.31
Rot. Bonds5

About 2-[methyl-(prop-2-enylamino)amino]acetic acid

2-[methyl-(prop-2-enylamino)amino]acetic acid (PubChem CID 87574242) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[methyl-(prop-2-enylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(prop-2-enylamino)amino]acetic acid
PubChem CID87574242
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-[methyl-(prop-2-enylamino)amino]acetic acid
SMILESC=CCNN(C)CC(=O)O
InChIInChI=1S/C6H12N2O2/c1-3-4-7-8(2)5-6(9)10/h3,7H,1,4-5H2,2H3,(H,9,10)
InChIKeyXBPKEXRMSULHOK-UHFFFAOYSA-N
XLogP-0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(prop-2-enylamino)amino]acetic acid?
The IUPAC name of 2-[methyl-(prop-2-enylamino)amino]acetic acid (CID 87574242) is 2-[methyl-(prop-2-enylamino)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(prop-2-enylamino)amino]acetic acid?
The canonical SMILES for 2-[methyl-(prop-2-enylamino)amino]acetic acid is C=CCNN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(prop-2-enylamino)amino]acetic acid?
The InChIKey is XBPKEXRMSULHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-4-7-8(2)5-6(9)10/h3,7H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 2-[methyl-(prop-2-enylamino)amino]acetic acid?
2-[methyl-(prop-2-enylamino)amino]acetic acid has a molecular weight of 144.17 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(prop-2-enylamino)amino]acetic acid is sourced from PubChem (CID 87574242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).