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

C9H13N3O5 — CID 166766182

IUPAC2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESC=CC(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H13N3O5/c1-2-6(13)10-3-7(14)11-4-8(15)12-5-9(16)17/h2H,1,3-5H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)
InChIKeyXVCYALVTTVGFKY-UHFFFAOYSA-N
MW243.22 g/mol
LogP-2.39
Rot. Bonds7

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

2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 166766182) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid
PubChem CID166766182
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESC=CC(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H13N3O5/c1-2-6(13)10-3-7(14)11-4-8(15)12-5-9(16)17/h2H,1,3-5H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)
InChIKeyXVCYALVTTVGFKY-UHFFFAOYSA-N
XLogP-2.39
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acryloylglycine
CID 100321
Acetic acid, 2,2-bis((1-oxo-2-propen-1-yl)amino)-
CID 78096
2-(2-(Bis(carboxymethyl)amino)ethyl-(2-(2-(2,5-dioxopyrrol-1-yl)ethylamino)-2-oxoethyl)amino)acetic acid
CID 29982814
Methacryloylglycylglycine
CID 10241886
N-Acryloylglycylglycine
CID 20493959
Maleoylglycine
CID 100915606
2-(2-Acetamidoprop-2-enoylamino)acetic acid
CID 11229201
(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
Fumaryldi-glycin
CID 91619288
Fumaryldialanin
CID 129641676
CID 139064260
CID 139064260
N-acryloylglycylglycine monohydrate
CID 139073716

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid (CID 166766182) is 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid is C=CC(=O)NCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is XVCYALVTTVGFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-2-6(13)10-3-7(14)11-4-8(15)12-5-9(16)17/h2H,1,3-5H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of -2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 166766182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).