ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate

C12H21NO2 — CID 103563541

IUPACethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC2CC2)CC(C)C1
InChIInChI=1S/C12H21NO2/c1-3-15-11(14)12(6-9(2)7-12)13-8-10-4-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyPCPTYTVWDIICIK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds5

About ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate

ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate (PubChem CID 103563541) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
PubChem CID103563541
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC2CC2)CC(C)C1
InChIInChI=1S/C12H21NO2/c1-3-15-11(14)12(6-9(2)7-12)13-8-10-4-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyPCPTYTVWDIICIK-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563540
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111
ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894217
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478
ethyl 5-methyl-3-(methylamino)thiolane-3-carboxylate
CID 79950237
ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353118
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate (CID 103563541) is ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate is CCOC(=O)C1(NCC2CC2)CC(C)C1.
What is the InChIKey of ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate?
The InChIKey is PCPTYTVWDIICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-11(14)12(6-9(2)7-12)13-8-10-4-5-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate?
ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 103563541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).