[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate

C18H25N3O4 — CID 30825149

IUPAC[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
SMILESC[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-13(19-18(24)20-15-9-5-3-6-10-15)17(23)25-14(2)16(22)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,19,20,24)/t13-,14-/m1/s1
InChIKeyOWXLDHDXTIEZQN-ZIAGYGMSSA-N
MW347.42 g/mol
LogP2.14
Rot. Bonds5

About [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate

[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate (PubChem CID 30825149) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
PubChem CID30825149
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
SMILESC[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-13(19-18(24)20-15-9-5-3-6-10-15)17(23)25-14(2)16(22)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,19,20,24)/t13-,14-/m1/s1
InChIKeyOWXLDHDXTIEZQN-ZIAGYGMSSA-N
XLogP2.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7836630
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CID 8887763
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
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1-(3-acetylphenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
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[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate?
The IUPAC name of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate (CID 30825149) is [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate is C[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCCCC1.
What is the InChIKey of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate?
The InChIKey is OWXLDHDXTIEZQN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(19-18(24)20-15-9-5-3-6-10-15)17(23)25-14(2)16(22)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,19,20,24)/t13-,14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate?
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate has a molecular weight of 347.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 30825149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).