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

C6H10N2O3 — CID 141445668

IUPAC2-[methyl-(prop-2-enoylamino)amino]acetic acid
SMILESC=CC(=O)NN(C)CC(=O)O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)7-8(2)4-6(10)11/h3H,1,4H2,2H3,(H,7,9)(H,10,11)
InChIKeyBPQRATBISJDJBX-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.78
Rot. Bonds4

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

2-[methyl-(prop-2-enoylamino)amino]acetic acid (PubChem CID 141445668) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-[methyl-(prop-2-enoylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(prop-2-enoylamino)amino]acetic acid
PubChem CID141445668
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-[methyl-(prop-2-enoylamino)amino]acetic acid
SMILESC=CC(=O)NN(C)CC(=O)O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)7-8(2)4-6(10)11/h3H,1,4H2,2H3,(H,7,9)(H,10,11)
InChIKeyBPQRATBISJDJBX-UHFFFAOYSA-N
XLogP-0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-enoylamino)amino]acetic acid?
The IUPAC name of 2-[methyl-(prop-2-enoylamino)amino]acetic acid (CID 141445668) is 2-[methyl-(prop-2-enoylamino)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(prop-2-enoylamino)amino]acetic acid?
The canonical SMILES for 2-[methyl-(prop-2-enoylamino)amino]acetic acid is C=CC(=O)NN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-(prop-2-enoylamino)amino]acetic acid?
The InChIKey is BPQRATBISJDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-5(9)7-8(2)4-6(10)11/h3H,1,4H2,2H3,(H,7,9)(H,10,11).
What are the key properties of 2-[methyl-(prop-2-enoylamino)amino]acetic acid?
2-[methyl-(prop-2-enoylamino)amino]acetic acid has a molecular weight of 158.16 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(prop-2-enoylamino)amino]acetic acid is sourced from PubChem (CID 141445668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).