methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate

C14H25NO4 — CID 79571458

IUPACmethyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCOC1CCOCC1
InChIInChI=1S/C14H25NO4/c1-17-13(16)14(15)7-2-3-11(14)4-10-19-12-5-8-18-9-6-12/h11-12H,2-10,15H2,1H3
InChIKeyNJNFHZBBOSBWCR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.24
Rot. Bonds5

About methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79571458) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79571458
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCOC1CCOCC1
InChIInChI=1S/C14H25NO4/c1-17-13(16)14(15)7-2-3-11(14)4-10-19-12-5-8-18-9-6-12/h11-12H,2-10,15H2,1H3
InChIKeyNJNFHZBBOSBWCR-UHFFFAOYSA-N
XLogP1.24
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79567356
methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
CID 106448827
methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
methyl 2-(2-cyclohexyloxyethyl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79581318
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
1-(cyclopropylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentane-1-carboxylic acid
CID 79587752
methyl 1-(methylamino)-2-[2-(oxan-4-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79587507
[1-(methylamino)-2-[2-(oxolan-3-yloxy)ethyl]cyclopentyl]methanol
CID 79580990
methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 114342765
methyl 1-amino-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79858651
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate (CID 79571458) is methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCOC1CCOCC1.
What is the InChIKey of methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is NJNFHZBBOSBWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-17-13(16)14(15)7-2-3-11(14)4-10-19-12-5-8-18-9-6-12/h11-12H,2-10,15H2,1H3.
What are the key properties of methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.24, 5 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-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79571458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).