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

C15H29NO4 — CID 106448827

IUPACmethyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCOCCOCC(C)C
InChIInChI=1S/C15H29NO4/c1-12(2)11-20-10-9-19-8-6-13-5-4-7-15(13,16)14(17)18-3/h12-13H,4-11,16H2,1-3H3
InChIKeyJPXILBXJLXADEN-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.74
Rot. Bonds9

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

methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate (PubChem CID 106448827) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
PubChem CID106448827
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCOCCOCC(C)C
InChIInChI=1S/C15H29NO4/c1-12(2)11-20-10-9-19-8-6-13-5-4-7-15(13,16)14(17)18-3/h12-13H,4-11,16H2,1-3H3
InChIKeyJPXILBXJLXADEN-UHFFFAOYSA-N
XLogP1.74
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 106448811
1-(methylamino)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylic acid
CID 106448929
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
1-(aminomethyl)-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentan-1-ol
CID 106450791
methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79571458
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 106450765
1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
1-amino-2-(2-propan-2-yloxyethyl)cyclopentane-1-carboxamide
CID 79581080
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate (CID 106448827) is methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCOCCOCC(C)C.
What is the InChIKey of methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate?
The InChIKey is JPXILBXJLXADEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-12(2)11-20-10-9-19-8-6-13-5-4-7-15(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-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 106448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).