(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid

C17H15N3O3 — CID 135508465

IUPAC(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)[C@H](Cc1cnc[nH]1)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H15N3O3/c21-16-6-5-11-3-1-2-4-13(11)14(16)9-19-15(17(22)23)7-12-8-18-10-20-12/h1-6,8-10,15,21H,7H2,(H,18,20)(H,22,23)/b19-9+/t15-/m0/s1
InChIKeyVNUQLWYTGZQBME-OMPOGXFXSA-N
MW309.33 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid

(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 135508465) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID135508465
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESO=C(O)[C@H](Cc1cnc[nH]1)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H15N3O3/c21-16-6-5-11-3-1-2-4-13(11)14(16)9-19-15(17(22)23)7-12-8-18-10-20-12/h1-6,8-10,15,21H,7H2,(H,18,20)(H,22,23)/b19-9+/t15-/m0/s1
InChIKeyVNUQLWYTGZQBME-OMPOGXFXSA-N
XLogP2.38
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.38
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

(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
(2S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135929337
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
(3S)-3-amino-1-(2-hydroxynaphthalen-1-yl)-4-(1H-imidazol-5-yl)butan-2-one
CID 122459100
(2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 136740404
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
(2S)-2-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 136740405
bis((2S,3S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylpentanoic acid);oxo(oxovanadiooxy)vanadium
CID 135499712
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid (CID 135508465) is (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid is O=C(O)[C@H](Cc1cnc[nH]1)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is VNUQLWYTGZQBME-OMPOGXFXSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16-6-5-11-3-1-2-4-13(11)14(16)9-19-15(17(22)23)7-12-8-18-10-20-12/h1-6,8-10,15,21H,7H2,(H,18,20)(H,22,23)/b19-9+/t15-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid?
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 135508465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).