2-(carboxyamino)ethylcarbamic acid

C4H8N2O4 — CID 13397271

IUPAC2-(carboxyamino)ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)O
InChIInChI=1S/C4H8N2O4/c7-3(8)5-1-2-6-4(9)10/h5-6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyOKJUZGPEOLMYSD-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.48
Rot. Bonds3

About 2-(carboxyamino)ethylcarbamic acid

2-(carboxyamino)ethylcarbamic acid (PubChem CID 13397271) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-(carboxyamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(carboxyamino)ethylcarbamic acid
PubChem CID13397271
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name2-(carboxyamino)ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)O
InChIInChI=1S/C4H8N2O4/c7-3(8)5-1-2-6-4(9)10/h5-6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyOKJUZGPEOLMYSD-UHFFFAOYSA-N
XLogP-0.48
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)ethylcarbamic acid?
The IUPAC name of 2-(carboxyamino)ethylcarbamic acid (CID 13397271) is 2-(carboxyamino)ethylcarbamic acid.
What is the SMILES notation for 2-(carboxyamino)ethylcarbamic acid?
The canonical SMILES for 2-(carboxyamino)ethylcarbamic acid is O=C(O)NCCNC(=O)O.
What is the InChIKey of 2-(carboxyamino)ethylcarbamic acid?
The InChIKey is OKJUZGPEOLMYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c7-3(8)5-1-2-6-4(9)10/h5-6H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 2-(carboxyamino)ethylcarbamic acid?
2-(carboxyamino)ethylcarbamic acid has a molecular weight of 148.12 g/mol, XLogP of -0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)ethylcarbamic acid is sourced from PubChem (CID 13397271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).