methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate

C11H14N2O2 — CID 103258260

IUPACmethyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate
SMILESCOC(=O)/C=C/N[C@H](C)c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-9(10-4-3-6-12-8-10)13-7-5-11(14)15-2/h3-9,13H,1-2H3/b7-5+/t9-/m1/s1
InChIKeyNFSBNCHDKFZJFR-VPIOIWJLSA-N
MW206.25 g/mol
LogP1.42
Rot. Bonds4

About methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate

methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate (PubChem CID 103258260) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate
PubChem CID103258260
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate
SMILESCOC(=O)/C=C/N[C@H](C)c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-9(10-4-3-6-12-8-10)13-7-5-11(14)15-2/h3-9,13H,1-2H3/b7-5+/t9-/m1/s1
InChIKeyNFSBNCHDKFZJFR-VPIOIWJLSA-N
XLogP1.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
CID 144904685
methyl 2-methyl-3-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 81404347
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate (CID 103258260) is methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate is COC(=O)/C=C/N[C@H](C)c1cccnc1.
What is the InChIKey of methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate?
The InChIKey is NFSBNCHDKFZJFR-VPIOIWJLSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(10-4-3-6-12-8-10)13-7-5-11(14)15-2/h3-9,13H,1-2H3/b7-5+/t9-/m1/s1.
What are the key properties of methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate?
methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate has a molecular weight of 206.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate is sourced from PubChem (CID 103258260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).