[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate

C17H17NO3 — CID 7382431

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
SMILESC[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(N)=O
InChIInChI=1S/C17H17NO3/c1-12(16(18)19)21-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19)/t12-/m0/s1
InChIKeyUQYPTTNQQXZNDE-LBPRGKRZSA-N
MW283.33 g/mol
LogP2.31
Rot. Bonds5

About [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate

[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate (PubChem CID 7382431) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
PubChem CID7382431
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate
SMILESC[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(N)=O
InChIInChI=1S/C17H17NO3/c1-12(16(18)19)21-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19)/t12-/m0/s1
InChIKeyUQYPTTNQQXZNDE-LBPRGKRZSA-N
XLogP2.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate 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

[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2118279
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-benzylbenzoate
CID 7809515
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809496
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809499
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
2-O-(1-amino-1-oxopropan-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 56504712
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2609828
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 7809519
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate (CID 7382431) is [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate is C[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate?
The InChIKey is UQYPTTNQQXZNDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(16(18)19)21-17(20)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,19)/t12-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate has a molecular weight of 283.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 2-benzylbenzoate is sourced from PubChem (CID 7382431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).