ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate

C13H18N2O2 — CID 60697552

IUPACethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)10-15(12-3-4-12)9-11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKeyQODLEOROAMVGQH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds6

About ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate

ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate (PubChem CID 60697552) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
PubChem CID60697552
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)10-15(12-3-4-12)9-11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3
InChIKeyQODLEOROAMVGQH-UHFFFAOYSA-N
XLogP1.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
ethyl 2-[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]acetate
CID 62027413
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
ethyl 2-[cyclopropyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]acetate
CID 66152510
ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
CID 80656819
ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
CID 62028143
ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 62027787
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate
CID 71852853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate (CID 60697552) is ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccncc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate?
The InChIKey is QODLEOROAMVGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)10-15(12-3-4-12)9-11-5-7-14-8-6-11/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate?
ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate has a molecular weight of 234.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate is sourced from PubChem (CID 60697552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).