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

C14H19NO5 — CID 77230394

IUPAC2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-5-6-11(19-4)10(7-9)12(16)17/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyMWJZAOAKNWVPSI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.42
Rot. Bonds4

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

2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid (PubChem CID 77230394) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
PubChem CID77230394
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-5-6-11(19-4)10(7-9)12(16)17/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyMWJZAOAKNWVPSI-UHFFFAOYSA-N
XLogP2.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid with MolForge

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Related Compounds

2-[(E)-2-methoxyethenyl]-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 146403824
tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
CID 10710098
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
CID 22981317
4-methoxy-3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoic acid
CID 163196860
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
ethyl 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]-2-methylpropanoate
CID 23563104
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
methyl 2-[2-bromo-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]acetate
CID 67256823
2-methoxy-5-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl]benzoic acid
CID 123626798
2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl-trimethylazanium bromide
CID 10549988
tert-butyl N-[5-[[(2-chloroacetyl)amino]methyl]-2-methoxyphenyl]carbamate
CID 166419727

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid (CID 77230394) is 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid is COc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid?
The InChIKey is MWJZAOAKNWVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-5-6-11(19-4)10(7-9)12(16)17/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid?
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid is sourced from PubChem (CID 77230394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).