(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate

C17H23NO5 — CID 134410908

IUPAC(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-12(18-16(21)17(2,3)4)15(20)23-11-14(19)22-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyXCBPAKCWWQAAPQ-LBPRGKRZSA-N
MW321.37 g/mol
LogP1.82
Rot. Bonds6

About (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate

(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 134410908) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Name(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID134410908
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-12(18-16(21)17(2,3)4)15(20)23-11-14(19)22-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyXCBPAKCWWQAAPQ-LBPRGKRZSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
benzyl (2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoate
CID 165166794
acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 143799381
[2-[benzyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 30393194
(2-amino-2-oxoethyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 15612755
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
benzyl 3,3,4-trimethylpentanoate
CID 162413973
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
benzyl (2S)-2-[[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]amino]propanoate
CID 69333311

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate (CID 134410908) is (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate is C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is XCBPAKCWWQAAPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12(18-16(21)17(2,3)4)15(20)23-11-14(19)22-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate?
(2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 321.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenylmethoxyethyl) (2S)-2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 134410908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).