[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate

C19H20N2O4 — CID 2609828

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
SMILESC[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N2O4/c1-13(17(22)21-19(20)24)25-18(23)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,21,22,24)/t13-/m0/s1
InChIKeyAICKGLYIGRWFKS-ZDUSSCGKSA-N
MW340.38 g/mol
LogP2.21
Rot. Bonds6

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate (PubChem CID 2609828) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
PubChem CID2609828
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
SMILESC[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N2O4/c1-13(17(22)21-19(20)24)25-18(23)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,21,22,24)/t13-/m0/s1
InChIKeyAICKGLYIGRWFKS-ZDUSSCGKSA-N
XLogP2.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2118279
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
methyl 2-(2-phenylethyl)benzoate
CID 59701000
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-benzylbenzoate
CID 7809515
[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7382431
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 2595758
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468177
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 16540386
propan-2-yl 4-[[2-(2-phenylethyl)benzoyl]amino]benzoate
CID 1183511
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8597104

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate (CID 2609828) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate is C[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
The InChIKey is AICKGLYIGRWFKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(17(22)21-19(20)24)25-18(23)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,21,22,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 2609828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).