2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid

C13H18N2O4 — CID 66287585

IUPAC2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid
SMILESCCN(c1ccnc(C(=O)OC)c1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-5-15(13(2,3)12(17)18)9-6-7-14-10(8-9)11(16)19-4/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyMBXMTYKZSPSBGI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds5

About 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid

2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 66287585) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID66287585
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid
SMILESCCN(c1ccnc(C(=O)OC)c1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-5-15(13(2,3)12(17)18)9-6-7-14-10(8-9)11(16)19-4/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyMBXMTYKZSPSBGI-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
CID 62818215
2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
CID 79269082
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 156664169
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate
CID 66285918
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
methyl 4-[2-cyanopropyl(methyl)amino]pyridine-2-carboxylate
CID 66285396
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid (CID 66287585) is 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid is CCN(c1ccnc(C(=O)OC)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is MBXMTYKZSPSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-15(13(2,3)12(17)18)9-6-7-14-10(8-9)11(16)19-4/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66287585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).