(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid

C11H18N2O4S — CID 129345820

IUPAC(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-7(11(16)17)4-12(3)10(15)9-5-18-6-13(9)8(2)14/h7,9H,4-6H2,1-3H3,(H,16,17)/t7-,9-/m1/s1
InChIKeyMPWGJFZWQPTNET-VXNVDRBHSA-N
MW274.34 g/mol
LogP0.09
Rot. Bonds4

About (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid

(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 129345820) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID129345820
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-7(11(16)17)4-12(3)10(15)9-5-18-6-13(9)8(2)14/h7,9H,4-6H2,1-3H3,(H,16,17)/t7-,9-/m1/s1
InChIKeyMPWGJFZWQPTNET-VXNVDRBHSA-N
XLogP0.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-methyl-3-[methyl(thiane-4-carbonyl)amino]propanoic acid
CID 110837236
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
3-[(2,2-dimethylcyclopropanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 106703400
3-acetyl-1,3-thiazolidine-4-carboxylic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 13254309
3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 81362050
(2R)-2-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 129407526
(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54968091
3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008085
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204589
3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831919
(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104864060
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid (CID 129345820) is (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid is CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is MPWGJFZWQPTNET-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7(11(16)17)4-12(3)10(15)9-5-18-6-13(9)8(2)14/h7,9H,4-6H2,1-3H3,(H,16,17)/t7-,9-/m1/s1.
What are the key properties of (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 274.34 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 129345820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).