2-(2-methylprop-2-enylamino)acetic acid

C6H11NO2 — CID 22243119

IUPAC2-(2-methylprop-2-enylamino)acetic acid
SMILESC=C(C)CNCC(=O)O
InChIInChI=1S/C6H11NO2/c1-5(2)3-7-4-6(8)9/h7H,1,3-4H2,2H3,(H,8,9)
InChIKeyDGRFILPKUOWESI-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds4

About 2-(2-methylprop-2-enylamino)acetic acid

2-(2-methylprop-2-enylamino)acetic acid (PubChem CID 22243119) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)acetic acid
PubChem CID22243119
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(2-methylprop-2-enylamino)acetic acid
SMILESC=C(C)CNCC(=O)O
InChIInChI=1S/C6H11NO2/c1-5(2)3-7-4-6(8)9/h7H,1,3-4H2,2H3,(H,8,9)
InChIKeyDGRFILPKUOWESI-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)acetic acid?
The IUPAC name of 2-(2-methylprop-2-enylamino)acetic acid (CID 22243119) is 2-(2-methylprop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)acetic acid?
The canonical SMILES for 2-(2-methylprop-2-enylamino)acetic acid is C=C(C)CNCC(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enylamino)acetic acid?
The InChIKey is DGRFILPKUOWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)3-7-4-6(8)9/h7H,1,3-4H2,2H3,(H,8,9).
What are the key properties of 2-(2-methylprop-2-enylamino)acetic acid?
2-(2-methylprop-2-enylamino)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)acetic acid is sourced from PubChem (CID 22243119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).