2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid

C14H20N2O5 — CID 115412313

IUPAC2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H20N2O5/c1-14(2,20)8-16(3)13(19)15-11-7-9(21-4)5-6-10(11)12(17)18/h5-7,20H,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyWSPKJHOAPAQPEL-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.63
Rot. Bonds5

About 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid

2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid (PubChem CID 115412313) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
PubChem CID115412313
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H20N2O5/c1-14(2,20)8-16(3)13(19)15-11-7-9(21-4)5-6-10(11)12(17)18/h5-7,20H,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyWSPKJHOAPAQPEL-UHFFFAOYSA-N
XLogP1.63
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybenzoic acid
CID 115411628
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(2,2-dimethylbutylcarbamoylamino)-4-methoxybenzoic acid
CID 103463114
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682
2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methoxybenzoic acid
CID 115411559
3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 91662216
2-bromo-5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]benzoic acid
CID 115296972
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid (CID 115412313) is 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)N(C)CC(C)(C)O)c1.
What is the InChIKey of 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid?
The InChIKey is WSPKJHOAPAQPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,20)8-16(3)13(19)15-11-7-9(21-4)5-6-10(11)12(17)18/h5-7,20H,8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid?
2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid is sourced from PubChem (CID 115412313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).