methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate

C12H19N3O2 — CID 80811711

IUPACmethyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
SMILESCNc1cccc(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)11(12(16)17-4)15-10-7-5-6-9(13-3)14-10/h5-8,11H,1-4H3,(H2,13,14,15)
InChIKeyMGIAWKGNYPCJDF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.73
Rot. Bonds5

About methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate

methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate (PubChem CID 80811711) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
PubChem CID80811711
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
SMILESCNc1cccc(NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)11(12(16)17-4)15-10-7-5-6-9(13-3)14-10/h5-8,11H,1-4H3,(H2,13,14,15)
InChIKeyMGIAWKGNYPCJDF-UHFFFAOYSA-N
XLogP1.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
CID 113367705
methyl 2-[(5-tert-butyl-2-pyridinyl)amino]-3-methylbutanoate
CID 114011567
2-[(6-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106346848
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-3-methylbutanoate
CID 114999989
methyl 2-(2-amino-3-chloroanilino)-3-methylbutanoate
CID 104834363
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
methyl 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80961310
methyl 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80953741
methyl 3-methyl-2-(quinazolin-2-ylamino)butanoate
CID 114788545
methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
CID 80812300

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate (CID 80811711) is methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate is CNc1cccc(NC(C(=O)OC)C(C)C)n1.
What is the InChIKey of methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate?
The InChIKey is MGIAWKGNYPCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11(12(16)17-4)15-10-7-5-6-9(13-3)14-10/h5-8,11H,1-4H3,(H2,13,14,15).
What are the key properties of methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate?
methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate is sourced from PubChem (CID 80811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).