5-amino-2-prop-2-enoyloxybenzoic acid

C10H9NO4 — CID 69379168

IUPAC5-amino-2-prop-2-enoyloxybenzoic acid
SMILESC=CC(=O)Oc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H9NO4/c1-2-9(12)15-8-4-3-6(11)5-7(8)10(13)14/h2-5H,1,11H2,(H,13,14)
InChIKeyFGWPHDAPRAREAY-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.06
Rot. Bonds3

About 5-amino-2-prop-2-enoyloxybenzoic acid

5-amino-2-prop-2-enoyloxybenzoic acid (PubChem CID 69379168) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-amino-2-prop-2-enoyloxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-prop-2-enoyloxybenzoic acid
PubChem CID69379168
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name5-amino-2-prop-2-enoyloxybenzoic acid
SMILESC=CC(=O)Oc1ccc(N)cc1C(=O)O
InChIInChI=1S/C10H9NO4/c1-2-9(12)15-8-4-3-6(11)5-7(8)10(13)14/h2-5H,1,11H2,(H,13,14)
InChIKeyFGWPHDAPRAREAY-UHFFFAOYSA-N
XLogP1.06
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxy-5-aminobenzoic acid
CID 13140652
(3,7-diaminonaphthalen-2-yl) prop-2-enoate
CID 141212742
(4,7-diaminonaphthalen-1-yl) prop-2-enoate
CID 141212743
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
5-amino-2-propoxycarbonyloxybenzoic acid
CID 139745149
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
4-amino-2-prop-2-enoxycarbonylbenzoic acid
CID 54562538
5-amino-2-(3-methylsulfonylpropoxy)benzoic acid
CID 55161960
5-amino-2-(4-oxocyclohexyl)oxybenzoic acid
CID 117096019
5-amino-2-(3-cyanopropoxy)benzoic acid
CID 43380002

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-prop-2-enoyloxybenzoic acid?
The IUPAC name of 5-amino-2-prop-2-enoyloxybenzoic acid (CID 69379168) is 5-amino-2-prop-2-enoyloxybenzoic acid.
What is the SMILES notation for 5-amino-2-prop-2-enoyloxybenzoic acid?
The canonical SMILES for 5-amino-2-prop-2-enoyloxybenzoic acid is C=CC(=O)Oc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-prop-2-enoyloxybenzoic acid?
The InChIKey is FGWPHDAPRAREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-2-9(12)15-8-4-3-6(11)5-7(8)10(13)14/h2-5H,1,11H2,(H,13,14).
What are the key properties of 5-amino-2-prop-2-enoyloxybenzoic acid?
5-amino-2-prop-2-enoyloxybenzoic acid has a molecular weight of 207.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-prop-2-enoyloxybenzoic acid is sourced from PubChem (CID 69379168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).