methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate

C14H19NO4 — CID 79648707

IUPACmethyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(Oc2ccccc2CO)C1
InChIInChI=1S/C14H19NO4/c1-18-13(17)14(15)7-6-11(8-14)19-12-5-3-2-4-10(12)9-16/h2-5,11,16H,6-9,15H2,1H3
InChIKeyMXNVSECQFPRAEV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds4

About methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate

methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate (PubChem CID 79648707) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
PubChem CID79648707
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(Oc2ccccc2CO)C1
InChIInChI=1S/C14H19NO4/c1-18-13(17)14(15)7-6-11(8-14)19-12-5-3-2-4-10(12)9-16/h2-5,11,16H,6-9,15H2,1H3
InChIKeyMXNVSECQFPRAEV-UHFFFAOYSA-N
XLogP0.98
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylic acid
CID 79648941
methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
CID 79648377
methyl 3-[2-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79648403
methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
methyl 1-amino-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxylate
CID 79648235
1-amino-3-(2-methylphenoxy)cyclopentane-1-carboxamide
CID 79648383
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491
methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate (CID 79648707) is methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(Oc2ccccc2CO)C1.
What is the InChIKey of methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate?
The InChIKey is MXNVSECQFPRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13(17)14(15)7-6-11(8-14)19-12-5-3-2-4-10(12)9-16/h2-5,11,16H,6-9,15H2,1H3.
What are the key properties of methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate?
methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[2-(hydroxymethyl)phenoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 79648707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).