cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate

C7H13NO2 — CID 55285846

IUPACcis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H]1CN
InChIInChI=1S/C7H13NO2/c1-10-7(9)6-3-2-5(6)4-8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1
InChIKeyZUWRDCWIFSQITP-RITPCOANSA-N
MW143.19 g/mol
LogP0.14
Rot. Bonds2

About cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate

cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 55285846) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID55285846
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namecis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H]1CN
InChIInChI=1S/C7H13NO2/c1-10-7(9)6-3-2-5(6)4-8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1
InChIKeyZUWRDCWIFSQITP-RITPCOANSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
CID 167735532
methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate
CID 135039673
methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 172613050
methyl (1S,3R,4S)-3-(aminomethyl)-4-hydroxycyclopentane-1-carboxylate
CID 124583022
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
CID 89108103
CID 89108103
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
CID 122227702

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate (CID 55285846) is cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate is COC(=O)[C@H]1CC[C@@H]1CN.
What is the InChIKey of cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is ZUWRDCWIFSQITP-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-5(6)4-8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate?
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 55285846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).