methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate

C11H12ClNO3 — CID 86171147

IUPACmethyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-16-11(15)10(7-14)13-6-8-2-4-9(12)5-3-8/h2-6,10,14H,7H2,1H3/b13-6+
InChIKeyRLVILYVMXBIBFG-AWNIVKPZSA-N
MW241.67 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate

methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate (PubChem CID 86171147) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
PubChem CID86171147
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-16-11(15)10(7-14)13-6-8-2-4-9(12)5-3-8/h2-6,10,14H,7H2,1H3/b13-6+
InChIKeyRLVILYVMXBIBFG-AWNIVKPZSA-N
XLogP1.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.29
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

methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
CID 76686566
methyl (2S)-2-[(4-hydroxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135404719
ethane;fluoro 2-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)propanoate
CID 143230724
(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide
CID 135977524
methyl 2-(benzylideneamino)hexanoate
CID 23074255
methyl 2-(benzylideneamino)-4-methylsulfanylbutanoate
CID 4866663
2-[(4-chlorophenyl)methylideneamino]propanoate
CID 19426325
1-(4-chlorophenyl)-N-(1-methoxypropyl)methanimine
CID 71378549
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
methyl 2-(benzylideneamino)-4-cyanobutanoate
CID 24976831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate (CID 86171147) is methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate is COC(=O)C(CO)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate?
The InChIKey is RLVILYVMXBIBFG-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-16-11(15)10(7-14)13-6-8-2-4-9(12)5-3-8/h2-6,10,14H,7H2,1H3/b13-6+.
What are the key properties of methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate?
methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate has a molecular weight of 241.67 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate is sourced from PubChem (CID 86171147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).