2-(carbamoylamino)ethyl hydrogen sulfate

C3H8N2O5S — CID 174347909

IUPAC2-(carbamoylamino)ethyl hydrogen sulfate
SMILESNC(=O)NCCOS(=O)(=O)O
InChIInChI=1S/C3H8N2O5S/c4-3(6)5-1-2-10-11(7,8)9/h1-2H2,(H3,4,5,6)(H,7,8,9)
InChIKeyCYOAJZFJJHLEAJ-UHFFFAOYSA-N
MW184.17 g/mol
LogP-1.53
Rot. Bonds4

About 2-(carbamoylamino)ethyl hydrogen sulfate

2-(carbamoylamino)ethyl hydrogen sulfate (PubChem CID 174347909) has the molecular formula C3H8N2O5S and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(carbamoylamino)ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-(carbamoylamino)ethyl hydrogen sulfate
PubChem CID174347909
Molecular FormulaC3H8N2O5S
Molecular Weight184.17 g/mol
Exact Mass184.02
IUPAC Name2-(carbamoylamino)ethyl hydrogen sulfate
SMILESNC(=O)NCCOS(=O)(=O)O
InChIInChI=1S/C3H8N2O5S/c4-3(6)5-1-2-10-11(7,8)9/h1-2H2,(H3,4,5,6)(H,7,8,9)
InChIKeyCYOAJZFJJHLEAJ-UHFFFAOYSA-N
XLogP-1.53
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis[2-(carbamoylamino)ethyl] oxalate
CID 175560213
2-propan-2-yloxyethylurea
CID 22179539
2-(2-methylidenepentanoylamino)ethyl hydrogen sulfate
CID 140572936
2-(decanoylamino)ethyl hydrogen sulfate
CID 13257981
2-(carbamoylamino)ethyl 2-chloroacetate
CID 21179128
3-carbamoylbut-3-enyl hydrogen sulfate
CID 87919864
propyl hydrogen sulfate;sulfane;urea
CID 174898459
2-(methanesulfonamido)ethyl hydrogen sulfate
CID 57291133
CID 170842909
CID 170842909
bis(2-sulfooxyethylamino)phosphinic acid
CID 166636649
2-(trifluoromethoxy)ethylurea
CID 131225743
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)ethyl hydrogen sulfate?
The IUPAC name of 2-(carbamoylamino)ethyl hydrogen sulfate (CID 174347909) is 2-(carbamoylamino)ethyl hydrogen sulfate.
What is the SMILES notation for 2-(carbamoylamino)ethyl hydrogen sulfate?
The canonical SMILES for 2-(carbamoylamino)ethyl hydrogen sulfate is NC(=O)NCCOS(=O)(=O)O.
What is the InChIKey of 2-(carbamoylamino)ethyl hydrogen sulfate?
The InChIKey is CYOAJZFJJHLEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O5S/c4-3(6)5-1-2-10-11(7,8)9/h1-2H2,(H3,4,5,6)(H,7,8,9).
What are the key properties of 2-(carbamoylamino)ethyl hydrogen sulfate?
2-(carbamoylamino)ethyl hydrogen sulfate has a molecular weight of 184.17 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)ethyl hydrogen sulfate is sourced from PubChem (CID 174347909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).