[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate

C18H20N2O5 — CID 2459579

IUPAC[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12(20-17(22)15-9-6-10-24-15)18(23)25-13(2)16(21)19-11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyWGPDTGCMHXUFEZ-OLZOCXBDSA-N
MW344.37 g/mol
LogP1.65
Rot. Bonds7

About [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate (PubChem CID 2459579) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
PubChem CID2459579
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12(20-17(22)15-9-6-10-24-15)18(23)25-13(2)16(21)19-11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyWGPDTGCMHXUFEZ-OLZOCXBDSA-N
XLogP1.65
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738110
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738121
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738158
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738131
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate (CID 2459579) is [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate is C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is WGPDTGCMHXUFEZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(20-17(22)15-9-6-10-24-15)18(23)25-13(2)16(21)19-11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1.
What are the key properties of [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate?
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 344.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 2459579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).