2-(oxamoylamino)acetic acid

C4H6N2O4 — CID 55281663

IUPAC2-(oxamoylamino)acetic acid
SMILESNC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C4H6N2O4/c5-3(9)4(10)6-1-2(7)8/h1H2,(H2,5,9)(H,6,10)(H,7,8)
InChIKeyLIGRAMCSNNLRCN-UHFFFAOYSA-N
MW146.10 g/mol
LogP-2.33
Rot. Bonds2

About 2-(oxamoylamino)acetic acid

2-(oxamoylamino)acetic acid (PubChem CID 55281663) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 2-(oxamoylamino)acetic acid.

Molecular Properties

Compound Name2-(oxamoylamino)acetic acid
PubChem CID55281663
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name2-(oxamoylamino)acetic acid
SMILESNC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C4H6N2O4/c5-3(9)4(10)6-1-2(7)8/h1H2,(H2,5,9)(H,6,10)(H,7,8)
InChIKeyLIGRAMCSNNLRCN-UHFFFAOYSA-N
XLogP-2.33
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)acetic acid
CID 87288569
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
2-(carboxymethylamino)-2-oxoacetic acid;ethene
CID 142170274
carbamothioic S-acid;2-(sulfanylcarbonylamino)acetic acid
CID 88510023
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
C7H10F3N2O5S
CID 156588632
2-(carbamoylcarbamothioylamino)acetic acid
CID 21133377
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
2-[[(Z)-4-amino-2-(methylideneamino)-4-methyliminobut-2-enoyl]amino]acetic acid
CID 178031577
N'-(hydroxymethyl)-2-methylidenepropanediamide
CID 19799962

Frequently Asked Questions

What is the IUPAC name of 2-(oxamoylamino)acetic acid?
The IUPAC name of 2-(oxamoylamino)acetic acid (CID 55281663) is 2-(oxamoylamino)acetic acid.
What is the SMILES notation for 2-(oxamoylamino)acetic acid?
The canonical SMILES for 2-(oxamoylamino)acetic acid is NC(=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-(oxamoylamino)acetic acid?
The InChIKey is LIGRAMCSNNLRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4/c5-3(9)4(10)6-1-2(7)8/h1H2,(H2,5,9)(H,6,10)(H,7,8).
What are the key properties of 2-(oxamoylamino)acetic acid?
2-(oxamoylamino)acetic acid has a molecular weight of 146.10 g/mol, XLogP of -2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxamoylamino)acetic acid is sourced from PubChem (CID 55281663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).