benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C15H20ClNO6S — CID 168920145

IUPACbenzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)Cl
InChIInChI=1S/C15H20ClNO6S/c1-11(13(18)22-10-12-8-6-5-7-9-12)17(24(16,20)21)14(19)23-15(2,3)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeySJJPYYYCMHKBNB-LLVKDONJSA-N
MW377.85 g/mol
LogP2.84
Rot. Bonds5

About benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 168920145) has the molecular formula C15H20ClNO6S and a molecular weight of 377.85 g/mol. Its IUPAC name is benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID168920145
Molecular FormulaC15H20ClNO6S
Molecular Weight377.85 g/mol
Exact Mass377.07
IUPAC Namebenzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)Cl
InChIInChI=1S/C15H20ClNO6S/c1-11(13(18)22-10-12-8-6-5-7-9-12)17(24(16,20)21)14(19)23-15(2,3)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeySJJPYYYCMHKBNB-LLVKDONJSA-N
XLogP2.84
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 168920072
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803
(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl 4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyloxy]butanoate
CID 160546469
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
methyl (2S)-2-[[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-phenylpropanoate
CID 10837578
(4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 141142502
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
benzyl 3,3,4-trimethylpentanoate
CID 162413973
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate
CID 67291810

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 168920145) is benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is C[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)Cl.
What is the InChIKey of benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is SJJPYYYCMHKBNB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClNO6S/c1-11(13(18)22-10-12-8-6-5-7-9-12)17(24(16,20)21)14(19)23-15(2,3)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1.
What are the key properties of benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 377.85 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 168920145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).