methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate

C16H21F2NO4 — CID 95339526

IUPACmethyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate
SMILESCCO[C@H](C)C(=O)N(CCC(=O)OC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO4/c1-4-23-11(2)16(21)19(8-7-15(20)22-3)10-12-5-6-13(17)14(18)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m1/s1
InChIKeyRSENPSUUIWWFCR-LLVKDONJSA-N
MW329.34 g/mol
LogP2.28
Rot. Bonds8

About methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate

methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate (PubChem CID 95339526) has the molecular formula C16H21F2NO4 and a molecular weight of 329.34 g/mol. Its IUPAC name is methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate
PubChem CID95339526
Molecular FormulaC16H21F2NO4
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC Namemethyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate
SMILESCCO[C@H](C)C(=O)N(CCC(=O)OC)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO4/c1-4-23-11(2)16(21)19(8-7-15(20)22-3)10-12-5-6-13(17)14(18)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m1/s1
InChIKeyRSENPSUUIWWFCR-LLVKDONJSA-N
XLogP2.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate with MolForge

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Related Compounds

3-[(3,4-difluorophenyl)methyl-(2-phenylmethoxypropanoyl)amino]propanoic acid
CID 119207847
3-[(3,4-difluorophenyl)methyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 119208139
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 54872580
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
3-[(3,4-difluorophenyl)methyl-[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119208113
3-[2-(cyclopentanecarbonylamino)propanoyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid
CID 119208095
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
3-[(3,4-difluorophenyl)methyl-(3-phenylmethoxypropanoyl)amino]propanoic acid
CID 119207861
methyl 3-[(3,4-difluorophenyl)methylamino]propanoate
CID 43088323

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate?
The IUPAC name of methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate (CID 95339526) is methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate is CCO[C@H](C)C(=O)N(CCC(=O)OC)Cc1ccc(F)c(F)c1.
What is the InChIKey of methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate?
The InChIKey is RSENPSUUIWWFCR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F2NO4/c1-4-23-11(2)16(21)19(8-7-15(20)22-3)10-12-5-6-13(17)14(18)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate?
methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate has a molecular weight of 329.34 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4-difluorophenyl)methyl-[(2R)-2-ethoxypropanoyl]amino]propanoate is sourced from PubChem (CID 95339526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).