bis(ethylcarbamoyl)carbamic acid

C7H13N3O4 — CID 175128222

IUPACbis(ethylcarbamoyl)carbamic acid
SMILESCCNC(=O)N(C(=O)O)C(=O)NCC
InChIInChI=1S/C7H13N3O4/c1-3-8-5(11)10(7(13)14)6(12)9-4-2/h3-4H2,1-2H3,(H,8,11)(H,9,12)(H,13,14)
InChIKeyGJDKNWWXTAVBMF-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.43
Rot. Bonds2

About bis(ethylcarbamoyl)carbamic acid

bis(ethylcarbamoyl)carbamic acid (PubChem CID 175128222) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is bis(ethylcarbamoyl)carbamic acid.

Molecular Properties

Compound Namebis(ethylcarbamoyl)carbamic acid
PubChem CID175128222
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Namebis(ethylcarbamoyl)carbamic acid
SMILESCCNC(=O)N(C(=O)O)C(=O)NCC
InChIInChI=1S/C7H13N3O4/c1-3-8-5(11)10(7(13)14)6(12)9-4-2/h3-4H2,1-2H3,(H,8,11)(H,9,12)(H,13,14)
InChIKeyGJDKNWWXTAVBMF-UHFFFAOYSA-N
XLogP0.43
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(ethylcarbamoyl)carbamic acid?
The IUPAC name of bis(ethylcarbamoyl)carbamic acid (CID 175128222) is bis(ethylcarbamoyl)carbamic acid.
What is the SMILES notation for bis(ethylcarbamoyl)carbamic acid?
The canonical SMILES for bis(ethylcarbamoyl)carbamic acid is CCNC(=O)N(C(=O)O)C(=O)NCC.
What is the InChIKey of bis(ethylcarbamoyl)carbamic acid?
The InChIKey is GJDKNWWXTAVBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-3-8-5(11)10(7(13)14)6(12)9-4-2/h3-4H2,1-2H3,(H,8,11)(H,9,12)(H,13,14).
What are the key properties of bis(ethylcarbamoyl)carbamic acid?
bis(ethylcarbamoyl)carbamic acid has a molecular weight of 203.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylcarbamoyl)carbamic acid is sourced from PubChem (CID 175128222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).