methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate

C15H15NO3 — CID 135855183

IUPACmethyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
SMILESCOC(=O)[C@H](C)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-10(15(18)19-2)16-9-13-12-6-4-3-5-11(12)7-8-14(13)17/h3-10,17H,1-2H3/b16-9+/t10-/m0/s1
InChIKeyRWOAAYHXYGOHKC-JSJZUPIVSA-N
MW257.29 g/mol
LogP2.53
Rot. Bonds3

About methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate

methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate (PubChem CID 135855183) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
PubChem CID135855183
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
SMILESCOC(=O)[C@H](C)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-10(15(18)19-2)16-9-13-12-6-4-3-5-11(12)7-8-14(13)17/h3-10,17H,1-2H3/b16-9+/t10-/m0/s1
InChIKeyRWOAAYHXYGOHKC-JSJZUPIVSA-N
XLogP2.53
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
bis((2S,3S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylpentanoic acid);oxo(oxovanadiooxy)vanadium
CID 135499712
(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-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
CID 139178452
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate (CID 135855183) is methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate is COC(=O)[C@H](C)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate?
The InChIKey is RWOAAYHXYGOHKC-JSJZUPIVSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(15(18)19-2)16-9-13-12-6-4-3-5-11(12)7-8-14(13)17/h3-10,17H,1-2H3/b16-9+/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate?
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate has a molecular weight of 257.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate is sourced from PubChem (CID 135855183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).