3-(carbamoylamino)oxypropanoic acid

C4H8N2O4 — CID 87464313

IUPAC3-(carbamoylamino)oxypropanoic acid
SMILESNC(=O)NOCCC(=O)O
InChIInChI=1S/C4H8N2O4/c5-4(9)6-10-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKeyYOLOERKEHUMPHB-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.94
Rot. Bonds4

About 3-(carbamoylamino)oxypropanoic acid

3-(carbamoylamino)oxypropanoic acid (PubChem CID 87464313) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-(carbamoylamino)oxypropanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)oxypropanoic acid
PubChem CID87464313
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name3-(carbamoylamino)oxypropanoic acid
SMILESNC(=O)NOCCC(=O)O
InChIInChI=1S/C4H8N2O4/c5-4(9)6-10-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKeyYOLOERKEHUMPHB-UHFFFAOYSA-N
XLogP-0.94
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(carbamoylamino)oxy-5-oxopentanoic acid
CID 175122695
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
prop-2-enoxyurea
CID 14775875
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
2-(carbamoylamino)acetic acid
CID 87288569
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87299347
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-(2-iodoethoxy)ethoxy]propanoic acid
CID 137354402
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
acetamide;butanedioic acid
CID 175267619

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)oxypropanoic acid?
The IUPAC name of 3-(carbamoylamino)oxypropanoic acid (CID 87464313) is 3-(carbamoylamino)oxypropanoic acid.
What is the SMILES notation for 3-(carbamoylamino)oxypropanoic acid?
The canonical SMILES for 3-(carbamoylamino)oxypropanoic acid is NC(=O)NOCCC(=O)O.
What is the InChIKey of 3-(carbamoylamino)oxypropanoic acid?
The InChIKey is YOLOERKEHUMPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c5-4(9)6-10-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9).
What are the key properties of 3-(carbamoylamino)oxypropanoic acid?
3-(carbamoylamino)oxypropanoic acid has a molecular weight of 148.12 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)oxypropanoic acid is sourced from PubChem (CID 87464313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).