2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide

C7H13N3O4 — CID 175562019

IUPAC2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)CN.NCC(=O)O
InChIInChI=1S/C5H8N2O2.C2H5NO2/c1-2-4(8)7-5(9)3-6;3-1-2(4)5/h2H,1,3,6H2,(H,7,8,9);1,3H2,(H,4,5)
InChIKeyHMSGUGKJRCSZKK-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.20
Rot. Bonds3

About 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide

2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide (PubChem CID 175562019) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide.

Molecular Properties

Compound Name2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide
PubChem CID175562019
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)CN.NCC(=O)O
InChIInChI=1S/C5H8N2O2.C2H5NO2/c1-2-4(8)7-5(9)3-6;3-1-2(4)5/h2H,1,3,6H2,(H,7,8,9);1,3H2,(H,4,5)
InChIKeyHMSGUGKJRCSZKK-UHFFFAOYSA-N
XLogP-2.20
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;prop-2-enamide
CID 87241070
2-aminoacetic acid;buta-1,3-diene
CID 87205631
2-amino-N-(2-oxobut-3-enyl)acetamide
CID 142697377
2-aminoacetic acid;azane;ethene
CID 174860038
aluminum;2-aminoacetic acid;zirconium(4+);heptahydroxide
CID 174395664
bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;molecular hydrogen
CID 173030336
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;oxocopper
CID 158791680

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide?
The IUPAC name of 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide (CID 175562019) is 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide.
What is the SMILES notation for 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide?
The canonical SMILES for 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide is C=CC(=O)NC(=O)CN.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide?
The InChIKey is HMSGUGKJRCSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2H5NO2/c1-2-4(8)7-5(9)3-6;3-1-2(4)5/h2H,1,3,6H2,(H,7,8,9);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide?
2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide has a molecular weight of 203.20 g/mol, XLogP of -2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;N-(2-aminoacetyl)prop-2-enamide is sourced from PubChem (CID 175562019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).