3-(carboxyamino)-3-oxopropanoic acid

C4H5NO5 — CID 21224567

IUPAC3-(carboxyamino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NC(=O)O
InChIInChI=1S/C4H5NO5/c6-2(1-3(7)8)5-4(9)10/h1H2,(H,5,6)(H,7,8)(H,9,10)
InChIKeyAPFICGNCZDQSFS-UHFFFAOYSA-N
MW147.09 g/mol
LogP-0.74
Rot. Bonds2

About 3-(carboxyamino)-3-oxopropanoic acid

3-(carboxyamino)-3-oxopropanoic acid (PubChem CID 21224567) has the molecular formula C4H5NO5 and a molecular weight of 147.09 g/mol. Its IUPAC name is 3-(carboxyamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(carboxyamino)-3-oxopropanoic acid
PubChem CID21224567
Molecular FormulaC4H5NO5
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Name3-(carboxyamino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NC(=O)O
InChIInChI=1S/C4H5NO5/c6-2(1-3(7)8)5-4(9)10/h1H2,(H,5,6)(H,7,8)(H,9,10)
InChIKeyAPFICGNCZDQSFS-UHFFFAOYSA-N
XLogP-0.74
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(carboxyamino)-3-oxopropanoic 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

3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
3-oxo-3-(prop-1-en-2-ylamino)propanoic acid
CID 88991960
propanedioic acid;tungsten
CID 22081019
CID 87073401
CID 87073401
propanedioic acid;terbium
CID 87785742
calcium;propanedioic acid;dichloride
CID 172710665
methanol;propanedioic acid
CID 87156965
propanedioic acid;hydrate;dihydrochloride
CID 173455263
ethene;propanedioic acid
CID 159912302
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
2-[[2-[[7-[[2-(carboxyamino)-2-oxoethyl]amino]-7-oxoheptanoyl]amino]acetyl]amino]acetic acid
CID 101240963
3-methylsulfonylpropanoylcarbamic acid
CID 117126700

Frequently Asked Questions

What is the IUPAC name of 3-(carboxyamino)-3-oxopropanoic acid?
The IUPAC name of 3-(carboxyamino)-3-oxopropanoic acid (CID 21224567) is 3-(carboxyamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(carboxyamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(carboxyamino)-3-oxopropanoic acid is O=C(O)CC(=O)NC(=O)O.
What is the InChIKey of 3-(carboxyamino)-3-oxopropanoic acid?
The InChIKey is APFICGNCZDQSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO5/c6-2(1-3(7)8)5-4(9)10/h1H2,(H,5,6)(H,7,8)(H,9,10).
What are the key properties of 3-(carboxyamino)-3-oxopropanoic acid?
3-(carboxyamino)-3-oxopropanoic acid has a molecular weight of 147.09 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxyamino)-3-oxopropanoic acid is sourced from PubChem (CID 21224567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).