methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate

C12H16N2O2 — CID 115247225

IUPACmethyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CNc2ccccn2)CCC1
InChIInChI=1S/C12H16N2O2/c1-16-11(15)12(6-4-7-12)9-14-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7,9H2,1H3,(H,13,14)
InChIKeyGPUSGUWPPFIUEL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.84
Rot. Bonds4

About methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate

methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate (PubChem CID 115247225) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate
PubChem CID115247225
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CNc2ccccn2)CCC1
InChIInChI=1S/C12H16N2O2/c1-16-11(15)12(6-4-7-12)9-14-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7,9H2,1H3,(H,13,14)
InChIKeyGPUSGUWPPFIUEL-UHFFFAOYSA-N
XLogP1.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[(pyridin-2-yl)amino]propanoate
CID 818199
N-(3-methylpyridin-2-yl)cyclobutanecarboxamide
CID 837089
3-(pyridin-2-ylamino)propanoic Acid
CID 11983472
Methyl 2-((pyridin-2-yl)amino)acetate
CID 14585555
3-((Pyridin-2-yl)amino)propanoic acid hydrochloride
CID 45791454
3-(3,3-Dimethylbutan-2-ylamino)-4-(pyridin-2-ylamino)cyclobut-3-ene-1,2-dione
CID 44272412
Ethyl 3-(pyridin-2-ylcarbamothioylamino)propanoate
CID 44319673
1-(4-Methoxy-4-methylpentan-2-yl)-3-pyridin-2-ylurea
CID 75423119
N-2-Pyridinyl-beta-alanine ethyl ester
CID 11984503
3,3-dimethyl-N-(5-methylpyridin-2-yl)butanamide
CID 17249015
3-[(5-Methylpyridin-2-yl)amino]propanoic acid
CID 24697280
N-(5-Methylpyridin-2-yl)pivalamide
CID 4182924

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate (CID 115247225) is methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate is COC(=O)C1(CNc2ccccn2)CCC1.
What is the InChIKey of methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate?
The InChIKey is GPUSGUWPPFIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11(15)12(6-4-7-12)9-14-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7,9H2,1H3,(H,13,14).
What are the key properties of methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate?
methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 115247225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).