3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid

C20H22N2O4 — CID 120535893

IUPAC3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
SMILESCc1ccc(OCc2cccc(C(=O)NC(CC3CC3)C(=O)O)c2)cn1
InChIInChI=1S/C20H22N2O4/c1-13-5-8-17(11-21-13)26-12-15-3-2-4-16(9-15)19(23)22-18(20(24)25)10-14-6-7-14/h2-5,8-9,11,14,18H,6-7,10,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyGIYMRYRFZKFEDI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.95
Rot. Bonds8

About 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid

3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid (PubChem CID 120535893) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
PubChem CID120535893
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
SMILESCc1ccc(OCc2cccc(C(=O)NC(CC3CC3)C(=O)O)c2)cn1
InChIInChI=1S/C20H22N2O4/c1-13-5-8-17(11-21-13)26-12-15-3-2-4-16(9-15)19(23)22-18(20(24)25)10-14-6-7-14/h2-5,8-9,11,14,18H,6-7,10,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyGIYMRYRFZKFEDI-UHFFFAOYSA-N
XLogP2.95
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
CID 119360777
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
(2S)-3-cyclohexyl-2-[[3-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoic acid
CID 66912825
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
3-cyclopropyl-2-[(6-phenylmethoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535706
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 111447845
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid (CID 120535893) is 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid is Cc1ccc(OCc2cccc(C(=O)NC(CC3CC3)C(=O)O)c2)cn1.
What is the InChIKey of 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid?
The InChIKey is GIYMRYRFZKFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-5-8-17(11-21-13)26-12-15-3-2-4-16(9-15)19(23)22-18(20(24)25)10-14-6-7-14/h2-5,8-9,11,14,18H,6-7,10,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid?
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.95, 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-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 120535893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).