[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate

C14H18N2O4 — CID 7132707

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@H](CC(=O)O[C@H](C)C(N)=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-9(14(15)19)20-13(18)8-12(16-10(2)17)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H2,15,19)(H,16,17)/t9-,12-/m1/s1
InChIKeyKXROHYHIVQXBEV-BXKDBHETSA-N
MW278.31 g/mol
LogP0.67
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate

[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate (PubChem CID 7132707) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
PubChem CID7132707
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@H](CC(=O)O[C@H](C)C(N)=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-9(14(15)19)20-13(18)8-12(16-10(2)17)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H2,15,19)(H,16,17)/t9-,12-/m1/s1
InChIKeyKXROHYHIVQXBEV-BXKDBHETSA-N
XLogP0.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132735
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378852
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132754
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132731
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132755
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132745
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132820
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 41044858

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate (CID 7132707) is [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate is CC(=O)N[C@H](CC(=O)O[C@H](C)C(N)=O)c1ccccc1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate?
The InChIKey is KXROHYHIVQXBEV-BXKDBHETSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(14(15)19)20-13(18)8-12(16-10(2)17)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H2,15,19)(H,16,17)/t9-,12-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate?
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate has a molecular weight of 278.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 7132707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).