2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

C11H16N2O3S — CID 55008249

IUPAC2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nc(CC(=O)N(C)CC(C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-7(11(15)16)5-13(3)10(14)4-9-6-17-8(2)12-9/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyFDASRFODPMUFKX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 55008249) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
PubChem CID55008249
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nc(CC(=O)N(C)CC(C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-7(11(15)16)5-13(3)10(14)4-9-6-17-8(2)12-9/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyFDASRFODPMUFKX-UHFFFAOYSA-N
XLogP1.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-methyl-3-[methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122111619
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 111695291
(2S)-2-methyl-3-[methyl-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 97324502
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
2-methyl-3-[methyl-[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 122111519
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (CID 55008249) is 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is Cc1nc(CC(=O)N(C)CC(C)C(=O)O)cs1.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is FDASRFODPMUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(11(15)16)5-13(3)10(14)4-9-6-17-8(2)12-9/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 55008249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).