methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate

C11H19NO3 — CID 82719303

IUPACmethyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCOC1C
InChIInChI=1S/C11H19NO3/c1-8-11(5-6-15-8,10(13)14-2)12-7-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyYZNRTNKUYXGGAN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds4

About methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate

methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate (PubChem CID 82719303) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
PubChem CID82719303
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCOC1C
InChIInChI=1S/C11H19NO3/c1-8-11(5-6-15-8,10(13)14-2)12-7-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyYZNRTNKUYXGGAN-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64756183
methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
N-(cyclobutylmethyl)-2,3-dimethyloxolan-3-amine
CID 103581449
ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
CID 82718775
2-methyl-3-(propylamino)oxolane-3-carboxylic acid
CID 82718479
methyl 3-(cyclopropylmethylamino)-1,1-dioxothiolane-3-carboxylate
CID 63166297
ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
CID 82718490
methyl 1-(cyclopropylmethylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401936
methyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82717988
N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine
CID 164651458
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate?
The IUPAC name of methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate (CID 82719303) is methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate?
The canonical SMILES for methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate is COC(=O)C1(NCC2CC2)CCOC1C.
What is the InChIKey of methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate?
The InChIKey is YZNRTNKUYXGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-11(5-6-15-8,10(13)14-2)12-7-9-3-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate?
methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 82719303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).