4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid

C23H29NO3 — CID 122045704

IUPAC4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C23H29NO3/c25-23(26)15-14-20(16-18-8-2-1-3-9-18)24-17-19-10-4-7-13-22(19)27-21-11-5-6-12-21/h1-4,7-10,13,20-21,24H,5-6,11-12,14-17H2,(H,25,26)
InChIKeyKGHPLWOPQKKYBA-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.57
Rot. Bonds10

About 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid

4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 122045704) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
PubChem CID122045704
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C23H29NO3/c25-23(26)15-14-20(16-18-8-2-1-3-9-18)24-17-19-10-4-7-13-22(19)27-21-11-5-6-12-21/h1-4,7-10,13,20-21,24H,5-6,11-12,14-17H2,(H,25,26)
InChIKeyKGHPLWOPQKKYBA-UHFFFAOYSA-N
XLogP4.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
(2R)-2-[(2-cyclopentyloxyphenyl)methylamino]-2-phenylacetamide
CID 94643427
4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511984
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
4-[(2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045850
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid
CID 120511977

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid (CID 122045704) is 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1ccccc1OC1CCCC1.
What is the InChIKey of 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is KGHPLWOPQKKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-23(26)15-14-20(16-18-8-2-1-3-9-18)24-17-19-10-4-7-13-22(19)27-21-11-5-6-12-21/h1-4,7-10,13,20-21,24H,5-6,11-12,14-17H2,(H,25,26).
What are the key properties of 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid?
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 367.49 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).