2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid

C18H18N2O7 — CID 159148469

IUPAC2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
SMILESNc1ccc(O)cc1C(=O)O.O=C(O)c1cc(O)ccc1NC(=O)C1CC1
InChIInChI=1S/C11H11NO4.C7H7NO3/c13-7-3-4-9(8(5-7)11(15)16)12-10(14)6-1-2-6;8-6-2-1-4(9)3-5(6)7(10)11/h3-6,13H,1-2H2,(H,12,14)(H,15,16);1-3,9H,8H2,(H,10,11)
InChIKeyKIZBTKTUDSWBAV-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.11
Rot. Bonds4

About 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid

2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid (PubChem CID 159148469) has the molecular formula C18H18N2O7 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
PubChem CID159148469
Molecular FormulaC18H18N2O7
Molecular Weight374.35 g/mol
Exact Mass374.11
IUPAC Name2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
SMILESNc1ccc(O)cc1C(=O)O.O=C(O)c1cc(O)ccc1NC(=O)C1CC1
InChIInChI=1S/C11H11NO4.C7H7NO3/c13-7-3-4-9(8(5-7)11(15)16)12-10(14)6-1-2-6;8-6-2-1-4(9)3-5(6)7(10)11/h3-6,13H,1-2H2,(H,12,14)(H,15,16);1-3,9H,8H2,(H,10,11)
InChIKeyKIZBTKTUDSWBAV-UHFFFAOYSA-N
XLogP2.11
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 52.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
CID 50782758
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 61406284
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 81325335
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid (CID 159148469) is 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid is Nc1ccc(O)cc1C(=O)O.O=C(O)c1cc(O)ccc1NC(=O)C1CC1.
What is the InChIKey of 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid?
The InChIKey is KIZBTKTUDSWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4.C7H7NO3/c13-7-3-4-9(8(5-7)11(15)16)12-10(14)6-1-2-6;8-6-2-1-4(9)3-5(6)7(10)11/h3-6,13H,1-2H2,(H,12,14)(H,15,16);1-3,9H,8H2,(H,10,11).
What are the key properties of 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid?
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid has a molecular weight of 374.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 159148469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).