hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid

C10H14N2O5 — CID 87710980

IUPAChydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid
SMILESCOc1cc(N(O)C(=O)O)ccc1NCCO
InChIInChI=1S/C10H14N2O5/c1-17-9-6-7(12(16)10(14)15)2-3-8(9)11-4-5-13/h2-3,6,11,13,16H,4-5H2,1H3,(H,14,15)
InChIKeyHZAZYUJTKLJRHG-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.97
Rot. Bonds5

About hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid

hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid (PubChem CID 87710980) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid.

Molecular Properties

Compound Namehydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid
PubChem CID87710980
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namehydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid
SMILESCOc1cc(N(O)C(=O)O)ccc1NCCO
InChIInChI=1S/C10H14N2O5/c1-17-9-6-7(12(16)10(14)15)2-3-8(9)11-4-5-13/h2-3,6,11,13,16H,4-5H2,1H3,(H,14,15)
InChIKeyHZAZYUJTKLJRHG-UHFFFAOYSA-N
XLogP0.97
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid?
The IUPAC name of hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid (CID 87710980) is hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid.
What is the SMILES notation for hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid?
The canonical SMILES for hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid is COc1cc(N(O)C(=O)O)ccc1NCCO.
What is the InChIKey of hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid?
The InChIKey is HZAZYUJTKLJRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-17-9-6-7(12(16)10(14)15)2-3-8(9)11-4-5-13/h2-3,6,11,13,16H,4-5H2,1H3,(H,14,15).
What are the key properties of hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid?
hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid has a molecular weight of 242.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-(2-hydroxyethylamino)-3-methoxyphenyl]carbamic acid is sourced from PubChem (CID 87710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).