3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid

C21H24N2O4 — CID 120535842

IUPAC3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
SMILESCc1cc(C(=O)NC(CC2CC2)C(=O)O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H24N2O4/c1-13-8-17(20(24)23-18(21(25)26)10-15-5-6-15)9-14(2)19(13)27-12-16-4-3-7-22-11-16/h3-4,7-9,11,15,18H,5-6,10,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPKHHDILAZDFEDV-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.26
Rot. Bonds8

About 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid

3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid (PubChem CID 120535842) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
PubChem CID120535842
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
SMILESCc1cc(C(=O)NC(CC2CC2)C(=O)O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H24N2O4/c1-13-8-17(20(24)23-18(21(25)26)10-15-5-6-15)9-14(2)19(13)27-12-16-4-3-7-22-11-16/h3-4,7-9,11,15,18H,5-6,10,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPKHHDILAZDFEDV-UHFFFAOYSA-N
XLogP3.26
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid with MolForge

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Related Compounds

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
CID 120689532
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56544612
3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535706
N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119604417
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120524284

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid (CID 120535842) is 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid is Cc1cc(C(=O)NC(CC2CC2)C(=O)O)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
The InChIKey is PKHHDILAZDFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-8-17(20(24)23-18(21(25)26)10-15-5-6-15)9-14(2)19(13)27-12-16-4-3-7-22-11-16/h3-4,7-9,11,15,18H,5-6,10,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid?
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid has a molecular weight of 368.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 120535842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).