1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid

C15H21NO3 — CID 136541376

IUPAC1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(CNC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-19-11-13-6-4-5-12(9-13)10-16-15(14(17)18)7-2-3-8-15/h4-6,9,16H,2-3,7-8,10-11H2,1H3,(H,17,18)
InChIKeyHKCGVGQIZROIRV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.32
Rot. Bonds6

About 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid

1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid (PubChem CID 136541376) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
PubChem CID136541376
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(CNC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-19-11-13-6-4-5-12(9-13)10-16-15(14(17)18)7-2-3-8-15/h4-6,9,16H,2-3,7-8,10-11H2,1H3,(H,17,18)
InChIKeyHKCGVGQIZROIRV-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167827
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid (CID 136541376) is 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid is COCc1cccc(CNC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HKCGVGQIZROIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-11-13-6-4-5-12(9-13)10-16-15(14(17)18)7-2-3-8-15/h4-6,9,16H,2-3,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid?
1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).