methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate

C14H18N2O5 — CID 79646437

IUPACmethyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Oc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H18N2O5/c1-15-14(13(17)20-2)7-6-12(9-14)21-11-5-3-4-10(8-11)16(18)19/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKeyICEIZSSWHZFDKA-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.66
Rot. Bonds5

About methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate

methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate (PubChem CID 79646437) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
PubChem CID79646437
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(Oc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H18N2O5/c1-15-14(13(17)20-2)7-6-12(9-14)21-11-5-3-4-10(8-11)16(18)19/h3-5,8,12,15H,6-7,9H2,1-2H3
InChIKeyICEIZSSWHZFDKA-UHFFFAOYSA-N
XLogP1.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715
methyl 1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclopentane-1-carboxylate
CID 79644953
methyl 1-(cyclopropylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79649233
3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79644677
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
methyl 1-(ethylamino)-3-phenoxycyclopentane-1-carboxylate
CID 79648611
methyl 1-amino-3-(3-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79648378
1-(methylamino)-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79646675
methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79653657
ethane;4-(3-nitrophenoxy)piperidine
CID 156721949
dimethyl 2-(3-nitrophenyl)cyclobutane-1,1-dicarboxylate
CID 139350699

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate (CID 79646437) is methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(Oc2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate?
The InChIKey is ICEIZSSWHZFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15-14(13(17)20-2)7-6-12(9-14)21-11-5-3-4-10(8-11)16(18)19/h3-5,8,12,15H,6-7,9H2,1-2H3.
What are the key properties of methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate?
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).