2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid

C18H27NO3 — CID 120510137

IUPAC2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
SMILESCCCCC(NCc1cccc(OC2CCCC2)c1)C(=O)O
InChIInChI=1S/C18H27NO3/c1-2-3-11-17(18(20)21)19-13-14-7-6-10-16(12-14)22-15-8-4-5-9-15/h6-7,10,12,15,17,19H,2-5,8-9,11,13H2,1H3,(H,20,21)
InChIKeyZTPCLPHXRQRFBV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.74
Rot. Bonds9

About 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid

2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid (PubChem CID 120510137) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
PubChem CID120510137
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
SMILESCCCCC(NCc1cccc(OC2CCCC2)c1)C(=O)O
InChIInChI=1S/C18H27NO3/c1-2-3-11-17(18(20)21)19-13-14-7-6-10-16(12-14)22-15-8-4-5-9-15/h6-7,10,12,15,17,19H,2-5,8-9,11,13H2,1H3,(H,20,21)
InChIKeyZTPCLPHXRQRFBV-UHFFFAOYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-(benzylamino)nonanoic acid
CID 54889620
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
2-[[(3-cyclopentyloxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073142
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
CID 111421775
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]pentanoic acid
CID 120509529
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
(2S)-2-[(3,4-dibromophenyl)methylamino]hexanoic acid
CID 120511710
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid?
The IUPAC name of 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid (CID 120510137) is 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid is CCCCC(NCc1cccc(OC2CCCC2)c1)C(=O)O.
What is the InChIKey of 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid?
The InChIKey is ZTPCLPHXRQRFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-3-11-17(18(20)21)19-13-14-7-6-10-16(12-14)22-15-8-4-5-9-15/h6-7,10,12,15,17,19H,2-5,8-9,11,13H2,1H3,(H,20,21).
What are the key properties of 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid?
2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid has a molecular weight of 305.42 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid is sourced from PubChem (CID 120510137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).