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

C17H22N2O4 — CID 7132735

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-11(17(22)19-14-8-9-14)23-16(21)10-15(18-12(2)20)13-6-4-3-5-7-13/h3-7,11,14-15H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,15+/m1/s1
InChIKeyPYXSWFDSNUPNEI-ABAIWWIYSA-N
MW318.37 g/mol
LogP1.46
Rot. Bonds7

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

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate (PubChem CID 7132735) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
PubChem CID7132735
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-11(17(22)19-14-8-9-14)23-16(21)10-15(18-12(2)20)13-6-4-3-5-7-13/h3-7,11,14-15H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,15+/m1/s1
InChIKeyPYXSWFDSNUPNEI-ABAIWWIYSA-N
XLogP1.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608232
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate
CID 42970740
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[(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-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132745
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757862
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132755

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate (CID 7132735) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate is CC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate?
The InChIKey is PYXSWFDSNUPNEI-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(17(22)19-14-8-9-14)23-16(21)10-15(18-12(2)20)13-6-4-3-5-7-13/h3-7,11,14-15H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,15+/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate has a molecular weight of 318.37 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 7132735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).