[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid

C13H10N2O5S — CID 87860736

IUPAC[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid
SMILESO=Cc1ccc(N(C(=O)O)c2ccccc2NC(=O)O)s1
InChIInChI=1S/C13H10N2O5S/c16-7-8-5-6-11(21-8)15(13(19)20)10-4-2-1-3-9(10)14-12(17)18/h1-7,14H,(H,17,18)(H,19,20)
InChIKeyBIAHYZXQDRCRRF-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.47
Rot. Bonds4

About [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid

[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid (PubChem CID 87860736) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid.

Molecular Properties

Compound Name[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid
PubChem CID87860736
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid
SMILESO=Cc1ccc(N(C(=O)O)c2ccccc2NC(=O)O)s1
InChIInChI=1S/C13H10N2O5S/c16-7-8-5-6-11(21-8)15(13(19)20)10-4-2-1-3-9(10)14-12(17)18/h1-7,14H,(H,17,18)(H,19,20)
InChIKeyBIAHYZXQDRCRRF-UHFFFAOYSA-N
XLogP3.47
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid?
The IUPAC name of [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid (CID 87860736) is [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid.
What is the SMILES notation for [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid?
The canonical SMILES for [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid is O=Cc1ccc(N(C(=O)O)c2ccccc2NC(=O)O)s1.
What is the InChIKey of [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid?
The InChIKey is BIAHYZXQDRCRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-7-8-5-6-11(21-8)15(13(19)20)10-4-2-1-3-9(10)14-12(17)18/h1-7,14H,(H,17,18)(H,19,20).
What are the key properties of [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid?
[2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid has a molecular weight of 306.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carboxyamino)phenyl]-(5-formylthiophen-2-yl)carbamic acid is sourced from PubChem (CID 87860736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).