5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid

C22H27NO2 — CID 122045767

IUPAC5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H27NO2/c24-22(25)13-12-21(15-17-6-2-1-3-7-17)23-16-18-10-11-19-8-4-5-9-20(19)14-18/h1-3,6-7,10-11,14,21,23H,4-5,8-9,12-13,15-16H2,(H,24,25)
InChIKeyKAQCNPKQLPROEF-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.13
Rot. Bonds8

About 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid

5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid (PubChem CID 122045767) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
PubChem CID122045767
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H27NO2/c24-22(25)13-12-21(15-17-6-2-1-3-7-17)23-16-18-10-11-19-8-4-5-9-20(19)14-18/h1-3,6-7,10-11,14,21,23H,4-5,8-9,12-13,15-16H2,(H,24,25)
InChIKeyKAQCNPKQLPROEF-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120512041
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511969

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid?
The IUPAC name of 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid (CID 122045767) is 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid.
What is the SMILES notation for 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid?
The canonical SMILES for 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1ccc2c(c1)CCCC2.
What is the InChIKey of 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid?
The InChIKey is KAQCNPKQLPROEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-22(25)13-12-21(15-17-6-2-1-3-7-17)23-16-18-10-11-19-8-4-5-9-20(19)14-18/h1-3,6-7,10-11,14,21,23H,4-5,8-9,12-13,15-16H2,(H,24,25).
What are the key properties of 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid?
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid has a molecular weight of 337.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid is sourced from PubChem (CID 122045767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).