5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid

C12H14N2O6 — CID 175522793

IUPAC5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid
SMILESC=CC(=O)NCC(=O)O.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO3.C5H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11;1-2-4(7)6-3-5(8)9/h1-3,9H,8H2,(H,10,11);2H,1,3H2,(H,6,7)(H,8,9)
InChIKeyPAEMTIGTAIMPGW-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.05
Rot. Bonds4

About 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid

5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid (PubChem CID 175522793) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid
PubChem CID175522793
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid
SMILESC=CC(=O)NCC(=O)O.Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C7H7NO3.C5H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11;1-2-4(7)6-3-5(8)9/h1-3,9H,8H2,(H,10,11);2H,1,3H2,(H,6,7)(H,8,9)
InChIKeyPAEMTIGTAIMPGW-UHFFFAOYSA-N
XLogP0.05
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
5-amino-2-prop-2-enoyloxybenzoic acid
CID 69379168
4-amino-2-prop-2-enoxycarbonylbenzoic acid
CID 54562538
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
2-hydroxy-5-(2-prop-2-enoyloxyethoxycarbonylamino)benzoic acid
CID 59042097
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid?
The IUPAC name of 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid (CID 175522793) is 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid.
What is the SMILES notation for 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid?
The canonical SMILES for 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid is C=CC(=O)NCC(=O)O.Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid?
The InChIKey is PAEMTIGTAIMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C5H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11;1-2-4(7)6-3-5(8)9/h1-3,9H,8H2,(H,10,11);2H,1,3H2,(H,6,7)(H,8,9).
What are the key properties of 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid?
5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid has a molecular weight of 282.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxybenzoic acid;2-(prop-2-enoylamino)acetic acid is sourced from PubChem (CID 175522793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).