4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid

C14H18N2O5 — CID 43358320

IUPAC4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-11(18)16-8-4-5-9(12(19)20)10(17)6-8/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyUZSKHTWHQTZDLH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.19
Rot. Bonds4

About 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid

4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid (PubChem CID 43358320) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
PubChem CID43358320
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-11(18)16-8-4-5-9(12(19)20)10(17)6-8/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyUZSKHTWHQTZDLH-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

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Related Compounds

5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
4-bromo-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 60916642
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
CID 38239611
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
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid (CID 43358320) is 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid is CC(C)(C)C(=O)NCC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is UZSKHTWHQTZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-11(18)16-8-4-5-9(12(19)20)10(17)6-8/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
4-[[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 4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43358320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).