methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C15H29NO3 — CID 79648776

IUPACmethyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCCCOC1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C15H29NO3/c1-5-6-7-10-19-13-8-9-15(11-13,14(17)18-4)16-12(2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyNNCLOXGYGJAAHW-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds8

About methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate

methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79648776) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79648776
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCCCCOC1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C15H29NO3/c1-5-6-7-10-19-13-8-9-15(11-13,14(17)18-4)16-12(2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyNNCLOXGYGJAAHW-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
methyl 1-(cyclopropylamino)-3-heptoxycyclopentane-1-carboxylate
CID 79646967
methyl 1-(cyclopropylamino)-3-pentoxycyclohexane-1-carboxylate
CID 79637497
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644429
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395

Frequently Asked Questions

What is the IUPAC name of methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79648776) is methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate is CCCCCOC1CCC(NC(C)C)(C(=O)OC)C1.
What is the InChIKey of methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is NNCLOXGYGJAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-6-7-10-19-13-8-9-15(11-13,14(17)18-4)16-12(2)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79648776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).