(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid

C10H15N3O6S — CID 104936066

IUPAC(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NS(=O)(=O)c1cnc(C)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-6-11-5-8(12-6)20(17,18)13-7(10(15)16)3-4-9(14)19-2/h5,7,13H,3-4H2,1-2H3,(H,11,12)(H,15,16)/t7-/m1/s1
InChIKeyXJTGWKKYOLVCPZ-SSDOTTSWSA-N
MW305.31 g/mol
LogP-0.60
Rot. Bonds7

About (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 104936066) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
PubChem CID104936066
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NS(=O)(=O)c1cnc(C)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-6-11-5-8(12-6)20(17,18)13-7(10(15)16)3-4-9(14)19-2/h5,7,13H,3-4H2,1-2H3,(H,11,12)(H,15,16)/t7-/m1/s1
InChIKeyXJTGWKKYOLVCPZ-SSDOTTSWSA-N
XLogP-0.60
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
(2S)-5-methoxy-5-oxo-2-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 114005092
5-methoxy-5-oxo-2-(1H-pyrazol-4-ylsulfonylamino)pentanoic acid
CID 82786695
(2S)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935690
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936097
2-[(4-iodophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82781112
(2R)-2-[(4-bromophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936115
(2S)-2-[(4-bromophenyl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935713
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid (CID 104936066) is (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NS(=O)(=O)c1cnc(C)[nH]1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is XJTGWKKYOLVCPZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-6-11-5-8(12-6)20(17,18)13-7(10(15)16)3-4-9(14)19-2/h5,7,13H,3-4H2,1-2H3,(H,11,12)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 305.31 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104936066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).