2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid

C15H19NO5 — CID 107208665

IUPAC2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
SMILESCOc1cc(NC(=O)CC2(OC)CCC2)ccc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-20-12-8-10(4-5-11(12)14(18)19)16-13(17)9-15(21-2)6-3-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHLALEBILDPBKOJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.29
Rot. Bonds6

About 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid

2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid (PubChem CID 107208665) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
PubChem CID107208665
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
SMILESCOc1cc(NC(=O)CC2(OC)CCC2)ccc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-20-12-8-10(4-5-11(12)14(18)19)16-13(17)9-15(21-2)6-3-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHLALEBILDPBKOJ-UHFFFAOYSA-N
XLogP2.29
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(1-methoxycyclobutyl)acetyl]amino]-2,3-dimethylbenzoic acid
CID 103555614
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522079
2-methoxy-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 107208127
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid (CID 107208665) is 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid is COc1cc(NC(=O)CC2(OC)CCC2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid?
The InChIKey is HLALEBILDPBKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-8-10(4-5-11(12)14(18)19)16-13(17)9-15(21-2)6-3-7-15/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid?
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 107208665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).