2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid

C8H14N2O3 — CID 79276754

IUPAC2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)C(N)=O
InChIInChI=1S/C8H14N2O3/c1-3-4-10(5-7(11)12)6(2)8(9)13/h3,6H,1,4-5H2,2H3,(H2,9,13)(H,11,12)
InChIKeyCGKCYZXWKSBQOD-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.57
Rot. Bonds6

About 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid

2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid (PubChem CID 79276754) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
PubChem CID79276754
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)C(N)=O
InChIInChI=1S/C8H14N2O3/c1-3-4-10(5-7(11)12)6(2)8(9)13/h3,6H,1,4-5H2,2H3,(H2,9,13)(H,11,12)
InChIKeyCGKCYZXWKSBQOD-UHFFFAOYSA-N
XLogP-0.57
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid (CID 79276754) is 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(C)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid?
The InChIKey is CGKCYZXWKSBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-4-10(5-7(11)12)6(2)8(9)13/h3,6H,1,4-5H2,2H3,(H2,9,13)(H,11,12).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid?
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).