methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate

C13H18N2O5 — CID 5389734

IUPACmethyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H18N2O5/c1-8(12(16)20-4)14-13(17)15-10-7-9(18-2)5-6-11(10)19-3/h5-8H,1-4H3,(H2,14,15,17)/t8-/m0/s1
InChIKeyJXPKVAZTCUZAEK-QMMMGPOBSA-N
MW282.30 g/mol
LogP1.39
Rot. Bonds5

About methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate

methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate (PubChem CID 5389734) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate
PubChem CID5389734
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H18N2O5/c1-8(12(16)20-4)14-13(17)15-10-7-9(18-2)5-6-11(10)19-3/h5-8H,1-4H3,(H2,14,15,17)/t8-/m0/s1
InChIKeyJXPKVAZTCUZAEK-QMMMGPOBSA-N
XLogP1.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate (CID 5389734) is methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate is COC(=O)[C@H](C)NC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate?
The InChIKey is JXPKVAZTCUZAEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8(12(16)20-4)14-13(17)15-10-7-9(18-2)5-6-11(10)19-3/h5-8H,1-4H3,(H2,14,15,17)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate?
methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate has a molecular weight of 282.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 5389734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).