5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid

C14H20N2O4 — CID 82683374

IUPAC5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCOC(=O)c1ccc(NCC(C)CCC(=O)O)nc1C
InChIInChI=1S/C14H20N2O4/c1-9(4-7-13(17)18)8-15-12-6-5-11(10(2)16-12)14(19)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKLYFLVRSUAFKIL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.09
Rot. Bonds7

About 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid

5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 82683374) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID82683374
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCOC(=O)c1ccc(NCC(C)CCC(=O)O)nc1C
InChIInChI=1S/C14H20N2O4/c1-9(4-7-13(17)18)8-15-12-6-5-11(10(2)16-12)14(19)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKLYFLVRSUAFKIL-UHFFFAOYSA-N
XLogP2.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(6-methoxycarbonylpyrazin-2-yl)amino]-4-methylpentanoic acid
CID 82017322
methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
CID 103880124
5-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82684140
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
CID 133418535
methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate
CID 133419616

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid (CID 82683374) is 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid is COC(=O)c1ccc(NCC(C)CCC(=O)O)nc1C.
What is the InChIKey of 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is KLYFLVRSUAFKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(4-7-13(17)18)8-15-12-6-5-11(10(2)16-12)14(19)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid?
5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82683374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).