4-amino-2-hydroxybenzoic acid;carbamic acid

C8H10N2O5 — CID 67980024

IUPAC4-amino-2-hydroxybenzoic acid;carbamic acid
SMILESNC(=O)O.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.CH3NO2/c8-4-1-2-5(7(10)11)6(9)3-4;2-1(3)4/h1-3,9H,8H2,(H,10,11);2H2,(H,3,4)
InChIKeyKSQMAUIXTNERGP-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.30
Rot. Bonds1

About 4-amino-2-hydroxybenzoic acid;carbamic acid

4-amino-2-hydroxybenzoic acid;carbamic acid (PubChem CID 67980024) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid;carbamic acid.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid;carbamic acid
PubChem CID67980024
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name4-amino-2-hydroxybenzoic acid;carbamic acid
SMILESNC(=O)O.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.CH3NO2/c8-4-1-2-5(7(10)11)6(9)3-4;2-1(3)4/h1-3,9H,8H2,(H,10,11);2H2,(H,3,4)
InChIKeyKSQMAUIXTNERGP-UHFFFAOYSA-N
XLogP0.30
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
CID 131855870
CID 131855870
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide
CID 139203630
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid;carbamic acid?
The IUPAC name of 4-amino-2-hydroxybenzoic acid;carbamic acid (CID 67980024) is 4-amino-2-hydroxybenzoic acid;carbamic acid.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid;carbamic acid?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid;carbamic acid is NC(=O)O.Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid;carbamic acid?
The InChIKey is KSQMAUIXTNERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.CH3NO2/c8-4-1-2-5(7(10)11)6(9)3-4;2-1(3)4/h1-3,9H,8H2,(H,10,11);2H2,(H,3,4).
What are the key properties of 4-amino-2-hydroxybenzoic acid;carbamic acid?
4-amino-2-hydroxybenzoic acid;carbamic acid has a molecular weight of 214.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid;carbamic acid is sourced from PubChem (CID 67980024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).