methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate

C17H25FN2O3 — CID 98753918

IUPACmethyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C(=O)OC
InChIInChI=1S/C17H25FN2O3/c1-5-20(10-12(2)17(22)23-4)11-16(21)19-13(3)14-6-8-15(18)9-7-14/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyOGWAYYNODBKGDD-CHWSQXEVSA-N
MW324.40 g/mol
LogP2.13
Rot. Bonds8

About methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate

methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate (PubChem CID 98753918) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
PubChem CID98753918
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Namemethyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
SMILESCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C(=O)OC
InChIInChI=1S/C17H25FN2O3/c1-5-20(10-12(2)17(22)23-4)11-16(21)19-13(3)14-6-8-15(18)9-7-14/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyOGWAYYNODBKGDD-CHWSQXEVSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 107485291
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
CID 114018739
2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 166303471
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate (CID 98753918) is methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate is CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
The InChIKey is OGWAYYNODBKGDD-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-5-20(10-12(2)17(22)23-4)11-16(21)19-13(3)14-6-8-15(18)9-7-14/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate has a molecular weight of 324.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 98753918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).