[(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

C16H20N2O5 — CID 7617153

IUPAC[(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H]1CCOC1=O
InChIInChI=1S/C16H20N2O5/c1-10(2)13(15(20)23-12-8-9-22-14(12)19)18-16(21)17-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H2,17,18,21)/t12-,13+/m0/s1
InChIKeyZBTVAEXYVUNJJC-QWHCGFSZSA-N
MW320.34 g/mol
LogP1.69
Rot. Bonds5

About [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

[(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7617153) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7617153
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name[(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H]1CCOC1=O
InChIInChI=1S/C16H20N2O5/c1-10(2)13(15(20)23-12-8-9-22-14(12)19)18-16(21)17-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H2,17,18,21)/t12-,13+/m0/s1
InChIKeyZBTVAEXYVUNJJC-QWHCGFSZSA-N
XLogP1.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-2-oxooxolan-3-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848057
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617077
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981946
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8982061
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617283
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617015
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617233
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616940

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7617153) is [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)O[C@H]1CCOC1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is ZBTVAEXYVUNJJC-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-10(2)13(15(20)23-12-8-9-22-14(12)19)18-16(21)17-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H2,17,18,21)/t12-,13+/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
[(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 320.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7617153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).