2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid

C12H15NO5 — CID 136557400

IUPAC2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid
SMILESCCC(OC)C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-3-10(18-2)11(15)13-7-4-5-9(14)8(6-7)12(16)17/h4-6,10,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyJVVFKWSTPFMWLE-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.45
Rot. Bonds5

About 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid

2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid (PubChem CID 136557400) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid
PubChem CID136557400
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid
SMILESCCC(OC)C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H15NO5/c1-3-10(18-2)11(15)13-7-4-5-9(14)8(6-7)12(16)17/h4-6,10,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyJVVFKWSTPFMWLE-UHFFFAOYSA-N
XLogP1.45
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxybenzoic acid
CID 79012462
5-[(2-amino-3-methylbutanoyl)amino]-2-hydroxybenzoic acid
CID 61159504
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740
N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide
CID 167797572
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
2-hydroxy-5-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 61452540
5-[[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoyl]amino]-2-hydroxybenzoic acid
CID 71256807
5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 79480960
2-hydroxy-5-[[4-methyl-2-(2-octadeca-3,6,9,12,15-pentaenoxybutanoylamino)pentanoyl]amino]benzoic acid
CID 71256885
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid (CID 136557400) is 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid is CCC(OC)C(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid?
The InChIKey is JVVFKWSTPFMWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-3-10(18-2)11(15)13-7-4-5-9(14)8(6-7)12(16)17/h4-6,10,14H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid?
2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid is sourced from PubChem (CID 136557400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).