4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

C11H16N2O3S — CID 65199945

IUPAC4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NC(CC(C)C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-6(2)4-8(11(15)16)13-10(14)9-5-17-7(3)12-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMUAAPDMSQIKLFD-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.68
Rot. Bonds5

About 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 65199945) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID65199945
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NC(CC(C)C)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-6(2)4-8(11(15)16)13-10(14)9-5-17-7(3)12-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMUAAPDMSQIKLFD-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
4-methyl-2-[[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119188692
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
methyl (2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954914

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 65199945) is 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is Cc1nc(C(=O)NC(CC(C)C)C(=O)O)cs1.
What is the InChIKey of 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is MUAAPDMSQIKLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-6(2)4-8(11(15)16)13-10(14)9-5-17-7(3)12-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65199945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).