3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid

C14H18N2O5 — CID 104832910

IUPAC3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-10(17)16-9-6-4-5-8(11(9)18)12(19)20/h4-6,18H,7H2,1-3H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyULJGFYVRHFBKNJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.19
Rot. Bonds4

About 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid

3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid (PubChem CID 104832910) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
PubChem CID104832910
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-10(17)16-9-6-4-5-8(11(9)18)12(19)20/h4-6,18H,7H2,1-3H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyULJGFYVRHFBKNJ-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': 'catechol', 'substructure': 'N/A'}

Analyze 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
CID 43358371
3-chloro-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 107046941
2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 113458472
4-bromo-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 60916642
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43358320
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
3-(3-ethylsulfanylpropanoylamino)-2-hydroxybenzoic acid
CID 151909186
N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119439887
2,2-dimethyl-N-[2-oxo-2-(quinolin-5-ylamino)ethyl]propanamide
CID 86977886

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid (CID 104832910) is 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid is CC(C)(C)C(=O)NCC(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is ULJGFYVRHFBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,3)13(21)15-7-10(17)16-9-6-4-5-8(11(9)18)12(19)20/h4-6,18H,7H2,1-3H3,(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid?
3-[[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 3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104832910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).