[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate

C14H18N2O3 — CID 166705848

IUPAC[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1c(OC)ccnc1C(N)=C1CCC1
InChIInChI=1S/C14H18N2O3/c1-3-11(17)19-14-10(18-2)7-8-16-13(14)12(15)9-5-4-6-9/h7-8H,3-6,15H2,1-2H3
InChIKeyDLIBEPMGORTHFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.26
Rot. Bonds4

About [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate

[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate (PubChem CID 166705848) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate.

Molecular Properties

Compound Name[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate
PubChem CID166705848
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate
SMILESCCC(=O)Oc1c(OC)ccnc1C(N)=C1CCC1
InChIInChI=1S/C14H18N2O3/c1-3-11(17)19-14-10(18-2)7-8-16-13(14)12(15)9-5-4-6-9/h7-8H,3-6,15H2,1-2H3
InChIKeyDLIBEPMGORTHFC-UHFFFAOYSA-N
XLogP2.26
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;2-(4-methylphenoxy)propyl propanoate;propane
CID 145115516
1,1-bis(4-tert-butylphenyl)prop-1-en-2-yl (2S)-2-[(4-methoxy-3-propanoyloxypyridine-2-carbonyl)amino]propanoate
CID 177338315
1,1-bis(4-methoxy-3-methylphenyl)prop-1-en-2-yl (2S)-2-[(4-methoxy-3-propanoyloxypyridine-2-carbonyl)amino]propanoate
CID 177338251
quinolin-4-yl propanoate
CID 174834385
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
(2-carbamoyl-4-methoxy-3-pyridinyl)oxymethyl butanoate;ethane;methyl 3-methoxypropanoate
CID 142237797
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608
(2-formyl-4-methoxy-3-pyridinyl) propaneperoxoate
CID 146594372
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;[3-(2,4-dichlorophenoxy)-4-ethylhexan-2-yl] propanoate
CID 145114524
[(2S)-1-phenylpropan-2-yl] (2S)-2-[[4-methoxy-3-(3-methoxypropanoyloxy)pyridine-2-carbonyl]amino]propanoate
CID 145115332
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
CID 145114691

Frequently Asked Questions

What is the IUPAC name of [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate?
The IUPAC name of [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate (CID 166705848) is [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate.
What is the SMILES notation for [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate?
The canonical SMILES for [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate is CCC(=O)Oc1c(OC)ccnc1C(N)=C1CCC1.
What is the InChIKey of [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate?
The InChIKey is DLIBEPMGORTHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-11(17)19-14-10(18-2)7-8-16-13(14)12(15)9-5-4-6-9/h7-8H,3-6,15H2,1-2H3.
What are the key properties of [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate?
[2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate has a molecular weight of 262.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(cyclobutylidene)methyl]-4-methoxy-3-pyridinyl] propanoate is sourced from PubChem (CID 166705848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).