methylamino cyclopropanecarboxylate

C5H9NO2 — CID 19995333

IUPACmethylamino cyclopropanecarboxylate
SMILESCNOC(=O)C1CC1
InChIInChI=1S/C5H9NO2/c1-6-8-5(7)4-2-3-4/h4,6H,2-3H2,1H3
InChIKeyZIKFLHDJRLHKGB-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.07
Rot. Bonds2

About methylamino cyclopropanecarboxylate

methylamino cyclopropanecarboxylate (PubChem CID 19995333) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methylamino cyclopropanecarboxylate.

Molecular Properties

Compound Namemethylamino cyclopropanecarboxylate
PubChem CID19995333
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethylamino cyclopropanecarboxylate
SMILESCNOC(=O)C1CC1
InChIInChI=1S/C5H9NO2/c1-6-8-5(7)4-2-3-4/h4,6H,2-3H2,1H3
InChIKeyZIKFLHDJRLHKGB-UHFFFAOYSA-N
XLogP0.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methylamino cyclobutanecarboxylate;hydrochloride
CID 175601704
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 4-fluorocyclohexane-1-carboxylate
CID 21281592
(hydroxyamino) cyclohexanecarboxylate
CID 149013635
sodium;hydride;methoxycarbonyl cyclopropanecarboxylate
CID 174775047
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
dimethylamino cyclopropanecarboxylate
CID 87328371
tert-butyl cyclopropanecarboxylate
CID 157212632
propan-2-yl cyclopropanecarboxylate
CID 550170
methyl cyclobutanecarboxylate;hydrate
CID 175300594
sulfanyl cyclopropanecarboxylate
CID 174803400

Frequently Asked Questions

What is the IUPAC name of methylamino cyclopropanecarboxylate?
The IUPAC name of methylamino cyclopropanecarboxylate (CID 19995333) is methylamino cyclopropanecarboxylate.
What is the SMILES notation for methylamino cyclopropanecarboxylate?
The canonical SMILES for methylamino cyclopropanecarboxylate is CNOC(=O)C1CC1.
What is the InChIKey of methylamino cyclopropanecarboxylate?
The InChIKey is ZIKFLHDJRLHKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-8-5(7)4-2-3-4/h4,6H,2-3H2,1H3.
What are the key properties of methylamino cyclopropanecarboxylate?
methylamino cyclopropanecarboxylate has a molecular weight of 115.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino cyclopropanecarboxylate is sourced from PubChem (CID 19995333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).