4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid

C17H22N2O5 — CID 120702208

IUPAC4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccc(NC(=O)C2CC2C)cc1)C(=O)O
InChIInChI=1S/C17H22N2O5/c1-10-9-13(10)16(21)18-12-5-3-11(4-6-12)15(20)19-14(17(22)23)7-8-24-2/h3-6,10,13-14H,7-9H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyXGAFBRZGHOYZIW-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.50
Rot. Bonds8

About 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid

4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid (PubChem CID 120702208) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
PubChem CID120702208
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1ccc(NC(=O)C2CC2C)cc1)C(=O)O
InChIInChI=1S/C17H22N2O5/c1-10-9-13(10)16(21)18-12-5-3-11(4-6-12)15(20)19-14(17(22)23)7-8-24-2/h3-6,10,13-14H,7-9H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyXGAFBRZGHOYZIW-UHFFFAOYSA-N
XLogP1.50
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid with MolForge

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
(2S,3S)-3-methyl-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]pentanoic acid
CID 119194021
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
4-[(2-methylcyclopropanecarbonyl)amino]-N-(4-methyl-4-phenylpentan-2-yl)benzamide
CID 60591962
N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124777410
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55877687
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid (CID 120702208) is 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid is COCCC(NC(=O)c1ccc(NC(=O)C2CC2C)cc1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is XGAFBRZGHOYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-10-9-13(10)16(21)18-12-5-3-11(4-6-12)15(20)19-14(17(22)23)7-8-24-2/h3-6,10,13-14H,7-9H2,1-2H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid is sourced from PubChem (CID 120702208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).