2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid

C8H14N4O4 — CID 144959900

IUPAC2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESC=C(N)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H14N4O4/c1-5(9)10-2-6(13)11-3-7(14)12-4-8(15)16/h10H,1-4,9H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyXUUBEKBFLJUBPR-UHFFFAOYSA-N
MW230.22 g/mol
LogP-2.68
Rot. Bonds7

About 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 144959900) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
PubChem CID144959900
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
SMILESC=C(N)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H14N4O4/c1-5(9)10-2-6(13)11-3-7(14)12-4-8(15)16/h10H,1-4,9H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyXUUBEKBFLJUBPR-UHFFFAOYSA-N
XLogP-2.68
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-(carbamoylamino)acetic acid
CID 87288569
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid
CID 65466641
2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 59692232
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
[3-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-oxopropyl]azanium
CID 23278184
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid (CID 144959900) is 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid is C=C(N)NCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is XUUBEKBFLJUBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-5(9)10-2-6(13)11-3-7(14)12-4-8(15)16/h10H,1-4,9H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 230.22 g/mol, XLogP of -2.68, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 144959900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).