tert-butyl (2R)-2-benzamidopropanoate

C14H19NO3 — CID 81004223

IUPACtert-butyl (2R)-2-benzamidopropanoate
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-10(13(17)18-14(2,3)4)15-12(16)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,16)/t10-/m1/s1
InChIKeyLLOWMKIHJIHISK-SNVBAGLBSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl (2R)-2-benzamidopropanoate

tert-butyl (2R)-2-benzamidopropanoate (PubChem CID 81004223) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-benzamidopropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-benzamidopropanoate
PubChem CID81004223
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl (2R)-2-benzamidopropanoate
SMILESC[C@@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-10(13(17)18-14(2,3)4)15-12(16)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,16)/t10-/m1/s1
InChIKeyLLOWMKIHJIHISK-SNVBAGLBSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-benzamidopropanoate
CID 6364617
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]benzamide
CID 82724139
tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate
CID 81028212
tert-butyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]propanoate
CID 103890672
tert-butyl (2S)-2-benzamido-3-sulfanylpropanoate
CID 10564781
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
tert-butyl (2S)-2-[(2,6-dimethylbenzoyl)amino]propanoate
CID 103822375
tert-butyl 2-(pyridazine-4-carbonylamino)propanoate
CID 154674168
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate
CID 11396593

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-benzamidopropanoate?
The IUPAC name of tert-butyl (2R)-2-benzamidopropanoate (CID 81004223) is tert-butyl (2R)-2-benzamidopropanoate.
What is the SMILES notation for tert-butyl (2R)-2-benzamidopropanoate?
The canonical SMILES for tert-butyl (2R)-2-benzamidopropanoate is C[C@@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-benzamidopropanoate?
The InChIKey is LLOWMKIHJIHISK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(13(17)18-14(2,3)4)15-12(16)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,15,16)/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-benzamidopropanoate?
tert-butyl (2R)-2-benzamidopropanoate has a molecular weight of 249.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-benzamidopropanoate is sourced from PubChem (CID 81004223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).