dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate

C19H19NO6 — CID 1353243

IUPACdimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO6/c1-12(26-16-7-5-4-6-8-16)17(21)20-15-10-13(18(22)24-2)9-14(11-15)19(23)25-3/h4-12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyFPJPWNLWLUSQKZ-LBPRGKRZSA-N
MW357.36 g/mol
LogP2.67
Rot. Bonds6

About dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 1353243) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate
PubChem CID1353243
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namedimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO6/c1-12(26-16-7-5-4-6-8-16)17(21)20-15-10-13(18(22)24-2)9-14(11-15)19(23)25-3/h4-12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyFPJPWNLWLUSQKZ-LBPRGKRZSA-N
XLogP2.67
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
dimethyl 5-[[2-(2-phenoxypropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 55315340
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
dimethyl 5-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzene-1,3-dicarboxylate
CID 133186767
2-phenoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991764
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
dimethyl 5-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzene-1,3-dicarboxylate
CID 28982159

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate (CID 1353243) is dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is FPJPWNLWLUSQKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19NO6/c1-12(26-16-7-5-4-6-8-16)17(21)20-15-10-13(18(22)24-2)9-14(11-15)19(23)25-3/h4-12H,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 357.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1353243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).