5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid

C19H21NO5 — CID 53228883

IUPAC5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
SMILESCOc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)c(C(=O)O)c1
InChIInChI=1S/C19H21NO5/c1-19(2,3)25-18(23)20-13-7-5-6-12(10-13)15-9-8-14(24-4)11-16(15)17(21)22/h5-11H,1-4H3,(H,20,23)(H,21,22)
InChIKeyBPQTZIZGNUWZOV-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.41
Rot. Bonds4

About 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid

5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid (PubChem CID 53228883) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
PubChem CID53228883
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
SMILESCOc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)c(C(=O)O)c1
InChIInChI=1S/C19H21NO5/c1-19(2,3)25-18(23)20-13-7-5-6-12(10-13)15-9-8-14(24-4)11-16(15)17(21)22/h5-11H,1-4H3,(H,20,23)(H,21,22)
InChIKeyBPQTZIZGNUWZOV-UHFFFAOYSA-N
XLogP4.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228867
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53229690
tert-butyl N-[3-[(2-bromo-4-methoxyphenyl)methylamino]phenyl]carbamate
CID 112748949
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
CID 140869030
tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
CID 59262979
2-[3-iodo-4-(3-iodophenyl)phenyl]-5-methoxybenzoic acid
CID 130342644

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid?
The IUPAC name of 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid (CID 53228883) is 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid?
The canonical SMILES for 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid is COc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid?
The InChIKey is BPQTZIZGNUWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(2,3)25-18(23)20-13-7-5-6-12(10-13)15-9-8-14(24-4)11-16(15)17(21)22/h5-11H,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid?
5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid has a molecular weight of 343.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid is sourced from PubChem (CID 53228883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).