[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate

C20H19NO3 — CID 30535420

IUPAC[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
SMILESC#CCNC(=O)[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-3-14-21-19(22)15(2)24-20(23)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h1,4-13,15,18H,14H2,2H3,(H,21,22)/t15-/m0/s1
InChIKeyYGFYJOVZMONBDO-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.50
Rot. Bonds6

About [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate

[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate (PubChem CID 30535420) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
PubChem CID30535420
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
SMILESC#CCNC(=O)[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-3-14-21-19(22)15(2)24-20(23)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h1,4-13,15,18H,14H2,2H3,(H,21,22)/t15-/m0/s1
InChIKeyYGFYJOVZMONBDO-HNNXBMFYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 8578892
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
N-but-3-ynyl-2,2-diphenylacetamide
CID 90537904
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] propanoate
CID 102519243
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749943
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate (CID 30535420) is [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate is C#CCNC(=O)[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate?
The InChIKey is YGFYJOVZMONBDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-14-21-19(22)15(2)24-20(23)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h1,4-13,15,18H,14H2,2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate?
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate has a molecular weight of 321.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 30535420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).