(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid

C10H17N3O4S2 — CID 122049266

IUPAC(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCc1nc(N[C@H](CC(C)C)C(=O)O)sc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-5(2)4-7(8(14)15)13-10-12-6(3)9(18-10)19(11,16)17/h5,7H,4H2,1-3H3,(H,12,13)(H,14,15)(H2,11,16,17)/t7-/m1/s1
InChIKeyUZQHKMXGACKIAO-SSDOTTSWSA-N
MW307.40 g/mol
LogP1.01
Rot. Bonds6

About (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid

(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 122049266) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID122049266
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCc1nc(N[C@H](CC(C)C)C(=O)O)sc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-5(2)4-7(8(14)15)13-10-12-6(3)9(18-10)19(11,16)17/h5,7H,4H2,1-3H3,(H,12,13)(H,14,15)(H2,11,16,17)/t7-/m1/s1
InChIKeyUZQHKMXGACKIAO-SSDOTTSWSA-N
XLogP1.01
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-methyl-2-[(5-nitro-1,3-thiazol-2-yl)amino]pentanoic acid
CID 120964548
(2R)-4-methyl-2-[(5-nitro-1,3-thiazol-2-yl)amino]pentanoic acid
CID 120964183
2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947257
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 78976406
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049216
2-[(4,5-dioxonaphtho[1,2-g][1,3]benzothiazol-2-yl)amino]-4-methylpentanoic acid
CID 177070569
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide
CID 167900557
(2S)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122050071
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]propanedioic acid
CID 130595687

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 122049266) is (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid is Cc1nc(N[C@H](CC(C)C)C(=O)O)sc1S(N)(=O)=O.
What is the InChIKey of (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is UZQHKMXGACKIAO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-5(2)4-7(8(14)15)13-10-12-6(3)9(18-10)19(11,16)17/h5,7H,4H2,1-3H3,(H,12,13)(H,14,15)(H2,11,16,17)/t7-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid?
(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 307.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122049266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).