ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate

C9H17NO2 — CID 130703819

IUPACethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N)CC(C)C1C
InChIInChI=1S/C9H17NO2/c1-4-12-8(11)9(10)5-6(2)7(9)3/h6-7H,4-5,10H2,1-3H3
InChIKeyQNBCWIMEEACTIK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.92
Rot. Bonds2

About ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate

ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate (PubChem CID 130703819) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
PubChem CID130703819
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N)CC(C)C1C
InChIInChI=1S/C9H17NO2/c1-4-12-8(11)9(10)5-6(2)7(9)3/h6-7H,4-5,10H2,1-3H3
InChIKeyQNBCWIMEEACTIK-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
CID 99998706
ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
CID 69120014
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate
CID 143605587
ethyl 2,2-dichloro-1,3-dimethylcyclobutane-1-carboxylate
CID 143820686
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
trans-diethyl (2R,3R)-2-formyl-3-methylcyclopropane-1,1-dicarboxylate
CID 15564239
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
ethyl 4-(2-methylcyclopropyl)-4-oxobutanoate
CID 66322746
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
ethyl (6S)-4-aminotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 163831098
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate (CID 130703819) is ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate is CCOC(=O)C1(N)CC(C)C1C.
What is the InChIKey of ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate?
The InChIKey is QNBCWIMEEACTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-12-8(11)9(10)5-6(2)7(9)3/h6-7H,4-5,10H2,1-3H3.
What are the key properties of ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate?
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 130703819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).