tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate

C14H22N2O2 — CID 64687344

IUPACtert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
SMILESCc1ccc(CNC(C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-10-6-7-12(8-15-10)9-16-11(2)13(17)18-14(3,4)5/h6-8,11,16H,9H2,1-5H3
InChIKeyQETXWBNRRJLYQC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate

tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate (PubChem CID 64687344) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
PubChem CID64687344
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
SMILESCc1ccc(CNC(C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-10-6-7-12(8-15-10)9-16-11(2)13(17)18-14(3,4)5/h6-8,11,16H,9H2,1-5H3
InChIKeyQETXWBNRRJLYQC-UHFFFAOYSA-N
XLogP2.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358
tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
CID 71192096
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
N'-hydroxy-2-[(6-methyl-3-pyridinyl)methylamino]propanimidamide
CID 77032579
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
methyl (2S)-2-[(2-tert-butylpyrimidin-5-yl)methylamino]propanoate
CID 114276603

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate?
The IUPAC name of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate (CID 64687344) is tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate?
The canonical SMILES for tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate is Cc1ccc(CNC(C)C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate?
The InChIKey is QETXWBNRRJLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-12(8-15-10)9-16-11(2)13(17)18-14(3,4)5/h6-8,11,16H,9H2,1-5H3.
What are the key properties of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate?
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate has a molecular weight of 250.34 g/mol, XLogP of 2.21, 4 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)methylamino]propanoate is sourced from PubChem (CID 64687344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).