3-(oxaldehydoylamino)propanoic acid

C5H7NO4 — CID 129042205

IUPAC3-(oxaldehydoylamino)propanoic acid
SMILESO=CC(=O)NCCC(=O)O
InChIInChI=1S/C5H7NO4/c7-3-4(8)6-2-1-5(9)10/h3H,1-2H2,(H,6,8)(H,9,10)
InChIKeyNFLPGZACPSMGSN-UHFFFAOYSA-N
MW145.11 g/mol
LogP-1.22
Rot. Bonds4

About 3-(oxaldehydoylamino)propanoic acid

3-(oxaldehydoylamino)propanoic acid (PubChem CID 129042205) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 3-(oxaldehydoylamino)propanoic acid.

Molecular Properties

Compound Name3-(oxaldehydoylamino)propanoic acid
PubChem CID129042205
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name3-(oxaldehydoylamino)propanoic acid
SMILESO=CC(=O)NCCC(=O)O
InChIInChI=1S/C5H7NO4/c7-3-4(8)6-2-1-5(9)10/h3H,1-2H2,(H,6,8)(H,9,10)
InChIKeyNFLPGZACPSMGSN-UHFFFAOYSA-N
XLogP-1.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(oxaldehydoylamino)propanoic 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-(oxaldehydoylamino)acetic acid
CID 18960539
(Z)-4-[2-(2-carboxyethylamino)ethylamino]-4-oxobut-2-enoic acid
CID 163282832
3-[[(E)-4-oxo-4-phosphorosobut-2-enoyl]amino]propanoic acid
CID 130222696
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
3-(fluoroamino)propanoic acid
CID 22665129
N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057
3-(oxaloamino)propanoic acid;hydrochloride
CID 89155811
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
3-[[2-[[2-[[2-(hydroxymethylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 147190025
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285

Frequently Asked Questions

What is the IUPAC name of 3-(oxaldehydoylamino)propanoic acid?
The IUPAC name of 3-(oxaldehydoylamino)propanoic acid (CID 129042205) is 3-(oxaldehydoylamino)propanoic acid.
What is the SMILES notation for 3-(oxaldehydoylamino)propanoic acid?
The canonical SMILES for 3-(oxaldehydoylamino)propanoic acid is O=CC(=O)NCCC(=O)O.
What is the InChIKey of 3-(oxaldehydoylamino)propanoic acid?
The InChIKey is NFLPGZACPSMGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-3-4(8)6-2-1-5(9)10/h3H,1-2H2,(H,6,8)(H,9,10).
What are the key properties of 3-(oxaldehydoylamino)propanoic acid?
3-(oxaldehydoylamino)propanoic acid has a molecular weight of 145.11 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxaldehydoylamino)propanoic acid is sourced from PubChem (CID 129042205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).