methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate

C13H15NO5 — CID 129389746

IUPACmethyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](C)OC(C)=O
InChIInChI=1S/C13H15NO5/c1-8(19-9(2)15)12(16)14-11-7-5-4-6-10(11)13(17)18-3/h4-8H,1-3H3,(H,14,16)/t8-/m0/s1
InChIKeyFCRRBRHZDPIOKH-QMMMGPOBSA-N
MW265.26 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate

methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate (PubChem CID 129389746) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
PubChem CID129389746
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](C)OC(C)=O
InChIInChI=1S/C13H15NO5/c1-8(19-9(2)15)12(16)14-11-7-5-4-6-10(11)13(17)18-3/h4-8H,1-3H3,(H,14,16)/t8-/m0/s1
InChIKeyFCRRBRHZDPIOKH-QMMMGPOBSA-N
XLogP1.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23803011
methyl 2-[2-(2,4,5-trichlorophenoxy)propanoylamino]benzoate
CID 4645599
methyl 2-[[2-(2-bromopropanoylamino)benzoyl]amino]benzoate
CID 11761289

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate (CID 129389746) is methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@H](C)OC(C)=O.
What is the InChIKey of methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate?
The InChIKey is FCRRBRHZDPIOKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(19-9(2)15)12(16)14-11-7-5-4-6-10(11)13(17)18-3/h4-8H,1-3H3,(H,14,16)/t8-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate?
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate has a molecular weight of 265.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate is sourced from PubChem (CID 129389746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).