methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate

C14H20N2O3 — CID 95202904

IUPACmethyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
SMILESCNC(=O)[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C14H20N2O3/c1-10(13(17)15-2)16(3)9-11-6-5-7-12(8-11)14(18)19-4/h5-8,10H,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyWFDKSWJIMSMCNP-SNVBAGLBSA-N
MW264.32 g/mol
LogP1.04
Rot. Bonds5

About methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate

methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate (PubChem CID 95202904) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
PubChem CID95202904
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
SMILESCNC(=O)[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1
InChIInChI=1S/C14H20N2O3/c1-10(13(17)15-2)16(3)9-11-6-5-7-12(8-11)14(18)19-4/h5-8,10H,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyWFDKSWJIMSMCNP-SNVBAGLBSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate with MolForge

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Related Compounds

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(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
The IUPAC name of methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate (CID 95202904) is methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate is CNC(=O)[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
The InChIKey is WFDKSWJIMSMCNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(17)15-2)16(3)9-11-6-5-7-12(8-11)14(18)19-4/h5-8,10H,9H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate?
methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate is sourced from PubChem (CID 95202904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).