2-(cyclopropylsulfamoylamino)oxyacetic acid

C5H10N2O5S — CID 114806218

IUPAC2-(cyclopropylsulfamoylamino)oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)NC1CC1
InChIInChI=1S/C5H10N2O5S/c8-5(9)3-12-7-13(10,11)6-4-1-2-4/h4,6-7H,1-3H2,(H,8,9)
InChIKeySPAKUWRXDNFVHJ-UHFFFAOYSA-N
MW210.21 g/mol
LogP-1.41
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)oxyacetic acid

2-(cyclopropylsulfamoylamino)oxyacetic acid (PubChem CID 114806218) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)oxyacetic acid
PubChem CID114806218
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name2-(cyclopropylsulfamoylamino)oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)NC1CC1
InChIInChI=1S/C5H10N2O5S/c8-5(9)3-12-7-13(10,11)6-4-1-2-4/h4,6-7H,1-3H2,(H,8,9)
InChIKeySPAKUWRXDNFVHJ-UHFFFAOYSA-N
XLogP-1.41
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)oxyacetic acid?
The IUPAC name of 2-(cyclopropylsulfamoylamino)oxyacetic acid (CID 114806218) is 2-(cyclopropylsulfamoylamino)oxyacetic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)oxyacetic acid?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)oxyacetic acid is O=C(O)CONS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)oxyacetic acid?
The InChIKey is SPAKUWRXDNFVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c8-5(9)3-12-7-13(10,11)6-4-1-2-4/h4,6-7H,1-3H2,(H,8,9).
What are the key properties of 2-(cyclopropylsulfamoylamino)oxyacetic acid?
2-(cyclopropylsulfamoylamino)oxyacetic acid has a molecular weight of 210.21 g/mol, XLogP of -1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)oxyacetic acid is sourced from PubChem (CID 114806218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).