methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate

C14H19NO5 — CID 19774442

IUPACmethyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate
SMILESCOC(=O)C(C)N(c1cccc(O)c1)C(C)C(=O)OC
InChIInChI=1S/C14H19NO5/c1-9(13(17)19-3)15(10(2)14(18)20-4)11-6-5-7-12(16)8-11/h5-10,16H,1-4H3
InChIKeySQSZXIQCJXAMKM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.32
Rot. Bonds5

About methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate

methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate (PubChem CID 19774442) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate
PubChem CID19774442
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate
SMILESCOC(=O)C(C)N(c1cccc(O)c1)C(C)C(=O)OC
InChIInChI=1S/C14H19NO5/c1-9(13(17)19-3)15(10(2)14(18)20-4)11-6-5-7-12(16)8-11/h5-10,16H,1-4H3
InChIKeySQSZXIQCJXAMKM-UHFFFAOYSA-N
XLogP1.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
3-(dimethylamino)phenol;methoxymethane
CID 175600948
methyl 2-bromo-3-(N-ethyl-3-hydroxyanilino)propanoate
CID 107736764
methyl 2-(N-aminoanilino)propanoate
CID 11159863
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
methyl 2-acetamido-3-(N-ethyl-3-hydroxyanilino)propanoate
CID 107736745
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
3-(dimethylamino)phenol;ethane
CID 174543999
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate?
The IUPAC name of methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate (CID 19774442) is methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate.
What is the SMILES notation for methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate?
The canonical SMILES for methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate is COC(=O)C(C)N(c1cccc(O)c1)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate?
The InChIKey is SQSZXIQCJXAMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(13(17)19-3)15(10(2)14(18)20-4)11-6-5-7-12(16)8-11/h5-10,16H,1-4H3.
What are the key properties of methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate?
methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate has a molecular weight of 281.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-N-(1-methoxy-1-oxopropan-2-yl)anilino)propanoate is sourced from PubChem (CID 19774442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).