4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid

C15H20N2O4 — CID 63302717

IUPAC4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)N1CC(Nc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-12(9-17)16-11-6-4-10(5-7-11)13(18)19/h4-7,12,16H,8-9H2,1-3H3,(H,18,19)
InChIKeyRCOZBYIPGLYYRZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.42
Rot. Bonds3

About 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid

4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid (PubChem CID 63302717) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid
PubChem CID63302717
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)N1CC(Nc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-12(9-17)16-11-6-4-10(5-7-11)13(18)19/h4-7,12,16H,8-9H2,1-3H3,(H,18,19)
InChIKeyRCOZBYIPGLYYRZ-UHFFFAOYSA-N
XLogP2.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid with MolForge

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Related Compounds

tert-butyl 3-[4-[[2-(methylamino)phenyl]carbamoyl]anilino]azetidine-1-carboxylate
CID 148645296
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 3-(3-iodo-4-methylanilino)azetidine-1-carboxylate
CID 63440330
tert-butyl 3-[4-(1H-pyrazol-5-yl)anilino]azetidine-1-carboxylate
CID 103645667
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-4-carboxylic acid
CID 118918262
tert-butyl 3-(3,5-dichloro-4-hydroxyanilino)azetidine-1-carboxylate
CID 107678952
tert-butyl 3-(1H-indol-5-ylamino)azetidine-1-carboxylate
CID 63303300
tert-butyl (3S)-3-(4-nitroanilino)pyrrolidine-1-carboxylate;sulfane
CID 162112445
tert-butyl 3-[4-(2,2-dicyanoethenylamino)anilino]pyrrolidine-1-carboxylate
CID 168543800
tert-butyl 3-(4-butan-2-ylanilino)pyrrolidine-1-carboxylate
CID 103820851

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid?
The IUPAC name of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid (CID 63302717) is 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid?
The canonical SMILES for 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid is CC(C)(C)OC(=O)N1CC(Nc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid?
The InChIKey is RCOZBYIPGLYYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-12(9-17)16-11-6-4-10(5-7-11)13(18)19/h4-7,12,16H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid?
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]benzoic acid is sourced from PubChem (CID 63302717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).