bis(carboxyamino)methylcarbamic acid

C4H7N3O6 — CID 23371190

IUPACbis(carboxyamino)methylcarbamic acid
SMILESO=C(O)NC(NC(=O)O)NC(=O)O
InChIInChI=1S/C4H7N3O6/c8-2(9)5-1(6-3(10)11)7-4(12)13/h1,5-7H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyKOUNRCHXLNYKHL-UHFFFAOYSA-N
MW193.12 g/mol
LogP-0.93
Rot. Bonds3

About bis(carboxyamino)methylcarbamic acid

bis(carboxyamino)methylcarbamic acid (PubChem CID 23371190) has the molecular formula C4H7N3O6 and a molecular weight of 193.12 g/mol. Its IUPAC name is bis(carboxyamino)methylcarbamic acid.

Molecular Properties

Compound Namebis(carboxyamino)methylcarbamic acid
PubChem CID23371190
Molecular FormulaC4H7N3O6
Molecular Weight193.12 g/mol
Exact Mass193.03
IUPAC Namebis(carboxyamino)methylcarbamic acid
SMILESO=C(O)NC(NC(=O)O)NC(=O)O
InChIInChI=1S/C4H7N3O6/c8-2(9)5-1(6-3(10)11)7-4(12)13/h1,5-7H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyKOUNRCHXLNYKHL-UHFFFAOYSA-N
XLogP-0.93
TPSA147.99 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(carboxyamino)methylcarbamic acid?
The IUPAC name of bis(carboxyamino)methylcarbamic acid (CID 23371190) is bis(carboxyamino)methylcarbamic acid.
What is the SMILES notation for bis(carboxyamino)methylcarbamic acid?
The canonical SMILES for bis(carboxyamino)methylcarbamic acid is O=C(O)NC(NC(=O)O)NC(=O)O.
What is the InChIKey of bis(carboxyamino)methylcarbamic acid?
The InChIKey is KOUNRCHXLNYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O6/c8-2(9)5-1(6-3(10)11)7-4(12)13/h1,5-7H,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of bis(carboxyamino)methylcarbamic acid?
bis(carboxyamino)methylcarbamic acid has a molecular weight of 193.12 g/mol, XLogP of -0.93, 3 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carboxyamino)methylcarbamic acid is sourced from PubChem (CID 23371190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).