methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate

C19H27NO6 — CID 95769596

IUPACmethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
SMILESCOC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H27NO6/c1-23-16-7-6-14(11-17(16)24-2)12-18(21)20(9-8-19(22)25-3)13-15-5-4-10-26-15/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeySWCICRFGEIRWHY-HNNXBMFYSA-N
MW365.43 g/mol
LogP1.82
Rot. Bonds9

About methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate

methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate (PubChem CID 95769596) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
PubChem CID95769596
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Namemethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
SMILESCOC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H27NO6/c1-23-16-7-6-14(11-17(16)24-2)12-18(21)20(9-8-19(22)25-3)13-15-5-4-10-26-15/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeySWCICRFGEIRWHY-HNNXBMFYSA-N
XLogP1.82
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[2-[4-(2-methylpropoxy)phenyl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoate
CID 95769595
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 65155375
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate (CID 95769596) is methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate is COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate?
The InChIKey is SWCICRFGEIRWHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-23-16-7-6-14(11-17(16)24-2)12-18(21)20(9-8-19(22)25-3)13-15-5-4-10-26-15/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate?
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate has a molecular weight of 365.43 g/mol, XLogP of 1.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate is sourced from PubChem (CID 95769596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).