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

C14H23N3O2 — CID 63383170

IUPACethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cccnc1CN)C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)10-17(11(2)3)9-12-6-5-7-16-13(12)8-15/h5-7,11H,4,8-10,15H2,1-3H3
InChIKeyNYZUGJWHDOOUJJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds7

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

ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate (PubChem CID 63383170) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
PubChem CID63383170
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cccnc1CN)C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)10-17(11(2)3)9-12-6-5-7-16-13(12)8-15/h5-7,11H,4,8-10,15H2,1-3H3
InChIKeyNYZUGJWHDOOUJJ-UHFFFAOYSA-N
XLogP1.31
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55128300
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate (CID 63383170) is ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1cccnc1CN)C(C)C.
What is the InChIKey of ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate?
The InChIKey is NYZUGJWHDOOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-14(18)10-17(11(2)3)9-12-6-5-7-16-13(12)8-15/h5-7,11H,4,8-10,15H2,1-3H3.
What are the key properties of ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate?
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate has a molecular weight of 265.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 63383170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).