(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

C15H21NO3 — CID 82762798

IUPAC(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCOc1cccc(COC(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C15H21NO3/c1-15(8-4-7-13(15)16)14(17)19-10-11-5-3-6-12(9-11)18-2/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3
InChIKeyZMWBTUNABIRZJN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds4

About (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate

(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82762798) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82762798
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCOc1cccc(COC(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C15H21NO3/c1-15(8-4-7-13(15)16)14(17)19-10-11-5-3-6-12(9-11)18-2/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3
InChIKeyZMWBTUNABIRZJN-UHFFFAOYSA-N
XLogP2.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824672
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
(3-methoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78790601
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
benzyl 2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 131741828
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate (CID 82762798) is (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is COc1cccc(COC(=O)C2(C)CCCC2N)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is ZMWBTUNABIRZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(8-4-7-13(15)16)14(17)19-10-11-5-3-6-12(9-11)18-2/h3,5-6,9,13H,4,7-8,10,16H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate?
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82762798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).