tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate

C15H21N3O6S — CID 44570447

IUPACtert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)NC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C15H21N3O6S/c1-15(2,3)24-14(21)17-11(12(16)19)9-25(22,23)18-13(20)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,16,19)(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyYQGSACZLEAOUCX-NSHDSACASA-N
MW371.42 g/mol
LogP0.12
Rot. Bonds6

About tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate (PubChem CID 44570447) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate
PubChem CID44570447
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Nametert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)NC(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C15H21N3O6S/c1-15(2,3)24-14(21)17-11(12(16)19)9-25(22,23)18-13(20)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,16,19)(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyYQGSACZLEAOUCX-NSHDSACASA-N
XLogP0.12
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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(3S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
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tert-butyl N-(1-amino-1-oxo-4-phenylmethoxybutan-2-yl)carbamate
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phenacyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
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benzyl 5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 3785894
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenacyloxybutanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate (CID 44570447) is tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)NC(=O)c1ccccc1)C(N)=O.
What is the InChIKey of tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is YQGSACZLEAOUCX-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O6S/c1-15(2,3)24-14(21)17-11(12(16)19)9-25(22,23)18-13(20)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,16,19)(H,17,21)(H,18,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 371.42 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-amino-3-(benzoylsulfamoyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 44570447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).