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

C19H23NO3 — CID 120511898

IUPAC4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESCOc1ccccc1CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-23-18-10-6-5-9-16(18)14-20-17(11-12-19(21)22)13-15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3,(H,21,22)
InChIKeyQUSWKSQWGFYLGR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.26
Rot. Bonds9

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

4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 120511898) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
PubChem CID120511898
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESCOc1ccccc1CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c1-23-18-10-6-5-9-16(18)14-20-17(11-12-19(21)22)13-15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3,(H,21,22)
InChIKeyQUSWKSQWGFYLGR-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511984
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025474
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
(4S)-4-acetamido-5-(2-methoxyphenyl)pentanoic acid
CID 174315167
4-[(2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045850
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 122046088

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid (CID 120511898) is 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid is COc1ccccc1CNC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is QUSWKSQWGFYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-23-18-10-6-5-9-16(18)14-20-17(11-12-19(21)22)13-15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3,(H,21,22).
What are the key properties of 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 313.40 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).