tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate

C12H18N2O2 — CID 148647674

IUPACtert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
SMILESCc1ccc(NCC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H18N2O2/c1-9-5-6-10(7-13-9)14-8-11(15)16-12(2,3)4/h5-7,14H,8H2,1-4H3
InChIKeyNLHBUWQYWFNUPG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate

tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate (PubChem CID 148647674) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
PubChem CID148647674
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
SMILESCc1ccc(NCC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H18N2O2/c1-9-5-6-10(7-13-9)14-8-11(15)16-12(2,3)4/h5-7,14H,8H2,1-4H3
InChIKeyNLHBUWQYWFNUPG-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
tert-butyl 2-[(6-methyl-4-propanimidoyl-3-pyridinyl)amino]acetate
CID 123430468
tert-butyl 2-[4-(2-ethoxy-2-oxoethoxy)-3-fluoroanilino]acetate
CID 69220601
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl 3-(6-methyl-3-pyridinyl)prop-2-ynoate
CID 165467310

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate (CID 148647674) is tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate is Cc1ccc(NCC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate?
The InChIKey is NLHBUWQYWFNUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-6-10(7-13-9)14-8-11(15)16-12(2,3)4/h5-7,14H,8H2,1-4H3.
What are the key properties of tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate?
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate has a molecular weight of 222.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate is sourced from PubChem (CID 148647674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).