2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid

C8H16N2O4 — CID 175056110

IUPAC2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid
SMILESC=CCNC(C)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H11NO2.C2H5NO2/c1-3-4-7-5(2)6(8)9;3-1-2(4)5/h3,5,7H,1,4H2,2H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyVOYACJFZAOFNAF-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.74
Rot. Bonds5

About 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid

2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid (PubChem CID 175056110) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid
PubChem CID175056110
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid
SMILESC=CCNC(C)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H11NO2.C2H5NO2/c1-3-4-7-5(2)6(8)9;3-1-2(4)5/h3,5,7H,1,4H2,2H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyVOYACJFZAOFNAF-UHFFFAOYSA-N
XLogP-0.74
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-aminoacetic acid;2-(prop-2-enylamino)propanoic acid?
The IUPAC name of 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid (CID 175056110) is 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid is C=CCNC(C)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid?
The InChIKey is VOYACJFZAOFNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H5NO2/c1-3-4-7-5(2)6(8)9;3-1-2(4)5/h3,5,7H,1,4H2,2H3,(H,8,9);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid?
2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 175056110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).