(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid

C8H13N3O5S — CID 80749768

IUPAC(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCCc1ncc(S(=O)(=O)N[C@H](CO)C(=O)O)[nH]1
InChIInChI=1S/C8H13N3O5S/c1-2-6-9-3-7(10-6)17(15,16)11-5(4-12)8(13)14/h3,5,11-12H,2,4H2,1H3,(H,9,10)(H,13,14)/t5-/m1/s1
InChIKeyBPAVOMACSJFVCF-RXMQYKEDSA-N
MW263.27 g/mol
LogP-1.30
Rot. Bonds6

About (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80749768) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80749768
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCCc1ncc(S(=O)(=O)N[C@H](CO)C(=O)O)[nH]1
InChIInChI=1S/C8H13N3O5S/c1-2-6-9-3-7(10-6)17(15,16)11-5(4-12)8(13)14/h3,5,11-12H,2,4H2,1H3,(H,9,10)(H,13,14)/t5-/m1/s1
InChIKeyBPAVOMACSJFVCF-RXMQYKEDSA-N
XLogP-1.30
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
CID 79246204
N-(2-chloro-1-phenylethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65030918
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide
CID 112673463
2-ethyl-N-hex-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106229017
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]cyclobutyl]acetic acid
CID 79845600
(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 104936066
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107868964
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279668
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid (CID 80749768) is (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid is CCc1ncc(S(=O)(=O)N[C@H](CO)C(=O)O)[nH]1.
What is the InChIKey of (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is BPAVOMACSJFVCF-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-2-6-9-3-7(10-6)17(15,16)11-5(4-12)8(13)14/h3,5,11-12H,2,4H2,1H3,(H,9,10)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 263.27 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80749768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).