(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid

C7H14N2O7S — CID 107835199

IUPAC(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H14N2O7S/c1-4(2)16-7(13)9-17(14,15)8-3-5(10)6(11)12/h4-5,8,10H,3H2,1-2H3,(H,9,13)(H,11,12)/t5-/m0/s1
InChIKeyCCZHNFLNFTXIFL-YFKPBYRVSA-N
MW270.26 g/mol
LogP-1.60
Rot. Bonds6

About (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid

(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid (PubChem CID 107835199) has the molecular formula C7H14N2O7S and a molecular weight of 270.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
PubChem CID107835199
Molecular FormulaC7H14N2O7S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Name(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H14N2O7S/c1-4(2)16-7(13)9-17(14,15)8-3-5(10)6(11)12/h4-5,8,10H,3H2,1-2H3,(H,9,13)(H,11,12)/t5-/m0/s1
InChIKeyCCZHNFLNFTXIFL-YFKPBYRVSA-N
XLogP-1.60
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid (CID 107835199) is (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid is CC(C)OC(=O)NS(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid?
The InChIKey is CCZHNFLNFTXIFL-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O7S/c1-4(2)16-7(13)9-17(14,15)8-3-5(10)6(11)12/h4-5,8,10H,3H2,1-2H3,(H,9,13)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid?
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid has a molecular weight of 270.26 g/mol, XLogP of -1.60, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid is sourced from PubChem (CID 107835199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).