2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid

C23H23NO3 — CID 174607975

IUPAC2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO3/c25-21-13-11-18(12-14-21)15-22(23(26)27)24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14,22,25H,15-17H2,(H,26,27)
InChIKeyHYVPJWYGHHBRGE-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.09
Rot. Bonds8

About 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid

2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 174607975) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID174607975
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO3/c25-21-13-11-18(12-14-21)15-22(23(26)27)24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14,22,25H,15-17H2,(H,26,27)
InChIKeyHYVPJWYGHHBRGE-UHFFFAOYSA-N
XLogP4.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dibenzylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
CID 10575593
(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
3-[3,4-bis(phenylmethoxy)phenyl]-2-(dibenzylamino)propanoic acid
CID 146659614
benzyl (2R)-2-(dibenzylamino)-3-phenylpropanoate
CID 36689310
(2S)-2-(dichloroamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54511156
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
2-[bis(phosphonomethyl)amino]-3-phenylpropanoic acid
CID 23728656
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
(2S)-2-[benzyl(oxiran-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 164544715
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
sodium 2-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20524802
(2S)-2-(diiodoamino)-3-(4-hydroxyphenyl)propanoic acid;methane
CID 118519695

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid (CID 174607975) is 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid is O=C(O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is HYVPJWYGHHBRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-21-13-11-18(12-14-21)15-22(23(26)27)24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-14,22,25H,15-17H2,(H,26,27).
What are the key properties of 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid?
2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 361.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 174607975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).