ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate

C14H22N2O2 — CID 112550243

IUPACethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1ncccc1C)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-14(17)10-16(11(2)3)9-13-12(4)7-6-8-15-13/h6-8,11H,5,9-10H2,1-4H3
InChIKeyFJBZTQUTRFATFS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds6

About ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate

ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate (PubChem CID 112550243) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
PubChem CID112550243
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1ncccc1C)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-14(17)10-16(11(2)3)9-13-12(4)7-6-8-15-13/h6-8,11H,5,9-10H2,1-4H3
InChIKeyFJBZTQUTRFATFS-UHFFFAOYSA-N
XLogP2.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
3-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]propanethioamide
CID 112650348
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 115982039
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate (CID 112550243) is ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1ncccc1C)C(C)C.
What is the InChIKey of ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The InChIKey is FJBZTQUTRFATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-14(17)10-16(11(2)3)9-13-12(4)7-6-8-15-13/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate has a molecular weight of 250.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 112550243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).