2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid

C14H19NO5 — CID 154843476

IUPAC2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCOc1ccccc1N(C)C(=O)C(C)OC(C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9(20-10(2)14(17)18)13(16)15(3)11-7-5-6-8-12(11)19-4/h5-10H,1-4H3,(H,17,18)
InChIKeyNTMIBABDEFMXIN-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.54
Rot. Bonds6

About 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid

2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid (PubChem CID 154843476) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
PubChem CID154843476
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCOc1ccccc1N(C)C(=O)C(C)OC(C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9(20-10(2)14(17)18)13(16)15(3)11-7-5-6-8-12(11)19-4/h5-10H,1-4H3,(H,17,18)
InChIKeyNTMIBABDEFMXIN-UHFFFAOYSA-N
XLogP1.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
2-(aminomethyl)-N-(2-methoxyphenyl)-N,4,4-trimethylpentanamide
CID 107471998
2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 166249701
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
(2S)-2-amino-N-(2-methoxyphenyl)-N-methylhexanamide
CID 103831499
(2S)-2-hydroxy-4-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 107839522
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
CID 135072686
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486
3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835053

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
The IUPAC name of 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid (CID 154843476) is 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
The canonical SMILES for 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid is COc1ccccc1N(C)C(=O)C(C)OC(C)C(=O)O.
What is the InChIKey of 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
The InChIKey is NTMIBABDEFMXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(20-10(2)14(17)18)13(16)15(3)11-7-5-6-8-12(11)19-4/h5-10H,1-4H3,(H,17,18).
What are the key properties of 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid?
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 154843476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).