tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate

C14H17Cl2NO3 — CID 81003606

IUPACtert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C14H17Cl2NO3/c1-8(13(19)20-14(2,3)4)17-12(18)9-6-5-7-10(15)11(9)16/h5-8H,1-4H3,(H,17,18)/t8-/m1/s1
InChIKeyBXGVGYOPBIEPSX-MRVPVSSYSA-N
MW318.20 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate

tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate (PubChem CID 81003606) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
PubChem CID81003606
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Nametert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C14H17Cl2NO3/c1-8(13(19)20-14(2,3)4)17-12(18)9-6-5-7-10(15)11(9)16/h5-8H,1-4H3,(H,17,18)/t8-/m1/s1
InChIKeyBXGVGYOPBIEPSX-MRVPVSSYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862
tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906
tert-butyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]propanoate
CID 103890672
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
tert-butyl (2S)-2-[(2,6-dimethylbenzoyl)amino]propanoate
CID 103822375
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-[(2-bromopyridine-3-carbonyl)amino]propanoate
CID 103774609
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
2-[(2,3-dichlorobenzoyl)amino]propanediamide
CID 25465611
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate (CID 81003606) is tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate is C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate?
The InChIKey is BXGVGYOPBIEPSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-8(13(19)20-14(2,3)4)17-12(18)9-6-5-7-10(15)11(9)16/h5-8H,1-4H3,(H,17,18)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate has a molecular weight of 318.20 g/mol, XLogP of 3.45, 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-[(2,3-dichlorobenzoyl)amino]propanoate is sourced from PubChem (CID 81003606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).