2-methoxy-4-(4-methoxypentanoylamino)benzoic acid

C14H19NO5 — CID 107208767

IUPAC2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
SMILESCOc1cc(NC(=O)CCC(C)OC)ccc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-9(19-2)4-7-13(16)15-10-5-6-11(14(17)18)12(8-10)20-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGMQIANVEXIFNPD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.15
Rot. Bonds7

About 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid

2-methoxy-4-(4-methoxypentanoylamino)benzoic acid (PubChem CID 107208767) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
PubChem CID107208767
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
SMILESCOc1cc(NC(=O)CCC(C)OC)ccc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-9(19-2)4-7-13(16)15-10-5-6-11(14(17)18)12(8-10)20-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGMQIANVEXIFNPD-UHFFFAOYSA-N
XLogP2.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106
2-methoxy-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 107209358
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 107208127
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-methoxybenzoic acid
CID 107209399

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid?
The IUPAC name of 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid (CID 107208767) is 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid?
The canonical SMILES for 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid is COc1cc(NC(=O)CCC(C)OC)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid?
The InChIKey is GMQIANVEXIFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(19-2)4-7-13(16)15-10-5-6-11(14(17)18)12(8-10)20-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid?
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methoxypentanoylamino)benzoic acid is sourced from PubChem (CID 107208767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).