ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C16H29NO4 — CID 79647207

IUPACethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCC(OCC2CCCO2)C1
InChIInChI=1S/C16H29NO4/c1-4-19-15(18)16(17-12(2)3)8-7-13(10-16)21-11-14-6-5-9-20-14/h12-14,17H,4-11H2,1-3H3
InChIKeySZJBXZSKFBXHFV-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.03
Rot. Bonds7

About ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79647207) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79647207
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCC(OCC2CCCO2)C1
InChIInChI=1S/C16H29NO4/c1-4-19-15(18)16(17-12(2)3)8-7-13(10-16)21-11-14-6-5-9-20-14/h12-14,17H,4-11H2,1-3H3
InChIKeySZJBXZSKFBXHFV-UHFFFAOYSA-N
XLogP2.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate
CID 79634770
ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 103284950
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxamide
CID 79638293
ethyl 1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 54890281
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 3-(cyclopentylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79646485
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565
ethyl 3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79656246

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79647207) is ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NC(C)C)CCC(OCC2CCCO2)C1.
What is the InChIKey of ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is SZJBXZSKFBXHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-4-19-15(18)16(17-12(2)3)8-7-13(10-16)21-11-14-6-5-9-20-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79647207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).