[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate

C17H23NO5 — CID 7772689

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
SMILESCCOC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC
InChIInChI=1S/C17H23NO5/c1-4-12(3)15(13-9-7-6-8-10-13)16(20)23-11-14(19)18-17(21)22-5-2/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19,21)/t12-,15+/m0/s1
InChIKeyCMOUWNKGRJUVQD-SWLSCSKDSA-N
MW321.37 g/mol
LogP2.63
Rot. Bonds7

About [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate

[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate (PubChem CID 7772689) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
PubChem CID7772689
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
SMILESCCOC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC
InChIInChI=1S/C17H23NO5/c1-4-12(3)15(13-9-7-6-8-10-13)16(20)23-11-14(19)18-17(21)22-5-2/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19,21)/t12-,15+/m0/s1
InChIKeyCMOUWNKGRJUVQD-SWLSCSKDSA-N
XLogP2.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772763
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772669
[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772957
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7773023
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773154

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate (CID 7772689) is [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate is CCOC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The InChIKey is CMOUWNKGRJUVQD-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H23NO5/c1-4-12(3)15(13-9-7-6-8-10-13)16(20)23-11-14(19)18-17(21)22-5-2/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19,21)/t12-,15+/m0/s1.
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate has a molecular weight of 321.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).