2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid

C19H23NO3 — CID 120509588

IUPAC2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H23NO3/c1-2-7-18(19(21)22)20-13-16-10-6-11-17(12-16)23-14-15-8-4-3-5-9-15/h3-6,8-12,18,20H,2,7,13-14H2,1H3,(H,21,22)
InChIKeyIFXSDEMWFRFNDV-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds9

About 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid

2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid (PubChem CID 120509588) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
PubChem CID120509588
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1cccc(OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C19H23NO3/c1-2-7-18(19(21)22)20-13-16-10-6-11-17(12-16)23-14-15-8-4-3-5-9-15/h3-6,8-12,18,20H,2,7,13-14H2,1H3,(H,21,22)
InChIKeyIFXSDEMWFRFNDV-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]pentanoic acid
CID 120509529
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 99124287
2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528242
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
CID 79040770
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid?
The IUPAC name of 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid (CID 120509588) is 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid is CCCC(NCc1cccc(OCc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid?
The InChIKey is IFXSDEMWFRFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-7-18(19(21)22)20-13-16-10-6-11-17(12-16)23-14-15-8-4-3-5-9-15/h3-6,8-12,18,20H,2,7,13-14H2,1H3,(H,21,22).
What are the key properties of 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid?
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid has a molecular weight of 313.40 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid is sourced from PubChem (CID 120509588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).