5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid

C14H18N2O5 — CID 43170102

IUPAC5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-11(18)16-8-4-5-10(17)9(6-8)12(19)20/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyZTFUIAAHTQLFBC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.19
Rot. Bonds4

About 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid

5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid (PubChem CID 43170102) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
PubChem CID43170102
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-11(18)16-8-4-5-10(17)9(6-8)12(19)20/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyZTFUIAAHTQLFBC-UHFFFAOYSA-N
XLogP1.19
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43358320
methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
CID 38239611
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 104832910
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-hydroxybenzoic acid
CID 115432252
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid (CID 43170102) is 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid is CC(C)(C)C(=O)NCC(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is ZTFUIAAHTQLFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-11(18)16-8-4-5-10(17)9(6-8)12(19)20/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43170102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).