(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium

C15H17NO6V — CID 135497072

IUPAC(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
SMILESCO.O=C(O)[C@H](CO)/N=C\c1c(O)ccc2ccccc12.O=[V]
InChIInChI=1S/C14H13NO4.CH4O.O.V/c16-8-12(14(18)19)15-7-11-10-4-2-1-3-9(10)5-6-13(11)17;1-2;;/h1-7,12,16-17H,8H2,(H,18,19);2H,1H3;;/b15-7-;;;/t12-;;;/m0.../s1
InChIKeySRXWQGSPCKDUOK-MALAKLPGSA-N
MW358.25 g/mol
LogP0.90
Rot. Bonds4

About (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium

(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium (PubChem CID 135497072) has the molecular formula C15H17NO6V and a molecular weight of 358.25 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
PubChem CID135497072
Molecular FormulaC15H17NO6V
Molecular Weight358.25 g/mol
Exact Mass358.05
IUPAC Name(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
SMILESCO.O=C(O)[C@H](CO)/N=C\c1c(O)ccc2ccccc12.O=[V]
InChIInChI=1S/C14H13NO4.CH4O.O.V/c16-8-12(14(18)19)15-7-11-10-4-2-1-3-9(10)5-6-13(11)17;1-2;;/h1-7,12,16-17H,8H2,(H,18,19);2H,1H3;;/b15-7-;;;/t12-;;;/m0.../s1
InChIKeySRXWQGSPCKDUOK-MALAKLPGSA-N
XLogP0.90
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135508465
bis((2S,3S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylpentanoic acid);oxo(oxovanadiooxy)vanadium
CID 135499712
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide
CID 135516858
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
CID 139178452

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium?
The IUPAC name of (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium (CID 135497072) is (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium is CO.O=C(O)[C@H](CO)/N=C\c1c(O)ccc2ccccc12.O=[V].
What is the InChIKey of (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium?
The InChIKey is SRXWQGSPCKDUOK-MALAKLPGSA-N. The full InChI is InChI=1S/C14H13NO4.CH4O.O.V/c16-8-12(14(18)19)15-7-11-10-4-2-1-3-9(10)5-6-13(11)17;1-2;;/h1-7,12,16-17H,8H2,(H,18,19);2H,1H3;;/b15-7-;;;/t12-;;;/m0.../s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium?
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium has a molecular weight of 358.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium is sourced from PubChem (CID 135497072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).