tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate

C15H20ClNO3S — CID 80999862

IUPACtert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
SMILESCSc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20ClNO3S/c1-9(14(19)20-15(2,3)4)17-13(18)11-8-10(21-5)6-7-12(11)16/h6-9H,1-5H3,(H,17,18)/t9-/m1/s1
InChIKeyGEEKFTPLWUMEOY-SECBINFHSA-N
MW329.85 g/mol
LogP3.52
Rot. Bonds4

About tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate

tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate (PubChem CID 80999862) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
PubChem CID80999862
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Nametert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
SMILESCSc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H20ClNO3S/c1-9(14(19)20-15(2,3)4)17-13(18)11-8-10(21-5)6-7-12(11)16/h6-9H,1-5H3,(H,17,18)/t9-/m1/s1
InChIKeyGEEKFTPLWUMEOY-SECBINFHSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate 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

2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
tert-butyl (2R)-2-[(5-fluoro-2-methylbenzoyl)amino]propanoate
CID 81003388
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
tert-butyl (2S)-2-[(2,5-dihydroxybenzoyl)amino]propanoate
CID 107725397
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
tert-butyl (2R)-2-[(5-bromo-2-fluorobenzoyl)amino]propanoate
CID 81003907
2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
CID 113272456

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate (CID 80999862) is tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate is CSc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate?
The InChIKey is GEEKFTPLWUMEOY-SECBINFHSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-9(14(19)20-15(2,3)4)17-13(18)11-8-10(21-5)6-7-12(11)16/h6-9H,1-5H3,(H,17,18)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate has a molecular weight of 329.85 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate is sourced from PubChem (CID 80999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).