2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid

C15H21NO3 — CID 120913321

IUPAC2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
SMILESCC(NCc1ccccc1OC1CCCC1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-11(15(17)18)16-10-12-6-2-5-9-14(12)19-13-7-3-4-8-13/h2,5-6,9,11,13,16H,3-4,7-8,10H2,1H3,(H,17,18)
InChIKeyCXOGEQXCNZLVQP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds6

About 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid

2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid (PubChem CID 120913321) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
PubChem CID120913321
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
SMILESCC(NCc1ccccc1OC1CCCC1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-11(15(17)18)16-10-12-6-2-5-9-14(12)19-13-7-3-4-8-13/h2,5-6,9,11,13,16H,3-4,7-8,10H2,1H3,(H,17,18)
InChIKeyCXOGEQXCNZLVQP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
(2R)-2-[(2-cyclopentyloxyphenyl)methylamino]-2-phenylacetamide
CID 94643427
2-[[(2-cyclopentyloxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073187
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036930
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588362

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid (CID 120913321) is 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid is CC(NCc1ccccc1OC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid?
The InChIKey is CXOGEQXCNZLVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(15(17)18)16-10-12-6-2-5-9-14(12)19-13-7-3-4-8-13/h2,5-6,9,11,13,16H,3-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid?
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 120913321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).