(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid

C30H23NO4 — CID 135436754

IUPAC(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C30H23NO4/c32-26-15-14-20-10-4-6-12-23(20)27(26)28-24-13-7-5-11-21(24)17-22(29(28)33)18-31-25(30(34)35)16-19-8-2-1-3-9-19/h1-15,17-18,25,32-33H,16H2,(H,34,35)/b31-18+/t25-/m1/s1
InChIKeyYUNGKQIZFJJVTR-QNSQCGTLSA-N
MW461.52 g/mol
LogP6.19
Rot. Bonds6

About (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid

(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid (PubChem CID 135436754) has the molecular formula C30H23NO4 and a molecular weight of 461.52 g/mol. Its IUPAC name is (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid
PubChem CID135436754
Molecular FormulaC30H23NO4
Molecular Weight461.52 g/mol
Exact Mass461.16
IUPAC Name(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O
InChIInChI=1S/C30H23NO4/c32-26-15-14-20-10-4-6-12-23(20)27(26)28-24-13-7-5-11-21(24)17-22(29(28)33)18-31-25(30(34)35)16-19-8-2-1-3-9-19/h1-15,17-18,25,32-33H,16H2,(H,34,35)/b31-18+/t25-/m1/s1
InChIKeyYUNGKQIZFJJVTR-QNSQCGTLSA-N
XLogP6.19
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[3-hydroxy-4-[2-(4-nitrobenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl]methylideneamino]-3-(4-hydroxyphenyl)propanoic acid
CID 136698354
(2S)-2-[[4-[3-[[(1S)-1-carboxy-3-methylbutyl]iminomethyl]-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalen-2-yl]methylideneamino]-4-methylpentanoic acid;oxo(oxovanadiooxy)vanadium
CID 135477843
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
(2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 136740415
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylideneamino]-3-phenylpropanoic acid
CID 136717278
2-[(2-hydroxy-5-sulfophenyl)methylideneamino]-3-phenylpropanoic acid
CID 136719290
copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)
CID 139213573
(2R)-2-[[3-hydroxy-4-[2-(4-nitrobenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl]methylideneamino]-3-(1H-indol-3-yl)propanoic acid
CID 136698356
(2S)-2-[[4-(2-benzoyloxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methylideneamino]propanoic acid
CID 136698344
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;acetate
CID 159266741

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid (CID 135436754) is (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)/N=C/c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O.
What is the InChIKey of (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid?
The InChIKey is YUNGKQIZFJJVTR-QNSQCGTLSA-N. The full InChI is InChI=1S/C30H23NO4/c32-26-15-14-20-10-4-6-12-23(20)27(26)28-24-13-7-5-11-21(24)17-22(29(28)33)18-31-25(30(34)35)16-19-8-2-1-3-9-19/h1-15,17-18,25,32-33H,16H2,(H,34,35)/b31-18+/t25-/m1/s1.
What are the key properties of (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid?
(2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid has a molecular weight of 461.52 g/mol, XLogP of 6.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3-phenylpropanoic acid is sourced from PubChem (CID 135436754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).