2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid

C15H20N2O4 — CID 138034429

IUPAC2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid
SMILESCc1ccc(CC(=O)NC(C(=O)O)C2CCOCC2)cn1
InChIInChI=1S/C15H20N2O4/c1-10-2-3-11(9-16-10)8-13(18)17-14(15(19)20)12-4-6-21-7-5-12/h2-3,9,12,14H,4-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyFSCOIAARDSDROY-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.93
Rot. Bonds5

About 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid

2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid (PubChem CID 138034429) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid
PubChem CID138034429
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid
SMILESCc1ccc(CC(=O)NC(C(=O)O)C2CCOCC2)cn1
InChIInChI=1S/C15H20N2O4/c1-10-2-3-11(9-16-10)8-13(18)17-14(15(19)20)12-4-6-21-7-5-12/h2-3,9,12,14H,4-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyFSCOIAARDSDROY-UHFFFAOYSA-N
XLogP0.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid with MolForge

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Related Compounds

2-(6-methyl-3-pyridinyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 129473159
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 62697078
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541563
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119203001
2-[(3-chloro-4-methylphenyl)methylamino]-2-(oxan-4-yl)acetic acid
CID 166253483
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119458332
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid?
The IUPAC name of 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid (CID 138034429) is 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid.
What is the SMILES notation for 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid?
The canonical SMILES for 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid is Cc1ccc(CC(=O)NC(C(=O)O)C2CCOCC2)cn1.
What is the InChIKey of 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid?
The InChIKey is FSCOIAARDSDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-2-3-11(9-16-10)8-13(18)17-14(15(19)20)12-4-6-21-7-5-12/h2-3,9,12,14H,4-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid?
2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid has a molecular weight of 292.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]-2-(oxan-4-yl)acetic acid is sourced from PubChem (CID 138034429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).