methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate

C15H29NO3 — CID 114208545

IUPACmethyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCC(CC)COCCC1CCCC1(N)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-4-12(5-2)11-19-10-8-13-7-6-9-15(13,16)14(17)18-3/h12-13H,4-11,16H2,1-3H3
InChIKeyNQLRGAKLBXVFPB-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.50
Rot. Bonds8

About methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 114208545) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID114208545
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCC(CC)COCCC1CCCC1(N)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-4-12(5-2)11-19-10-8-13-7-6-9-15(13,16)14(17)18-3/h12-13H,4-11,16H2,1-3H3
InChIKeyNQLRGAKLBXVFPB-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 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 ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate (CID 114208545) is methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate is CCC(CC)COCCC1CCCC1(N)C(=O)OC.
What is the InChIKey of methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is NQLRGAKLBXVFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-12(5-2)11-19-10-8-13-7-6-9-15(13,16)14(17)18-3/h12-13H,4-11,16H2,1-3H3.
What are the key properties of methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 114208545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).