(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid

C11H16N2O3S — CID 167758483

IUPAC(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccns1
InChIInChI=1S/C11H16N2O3S/c1-7(2)6-8(11(15)16)13(3)10(14)9-4-5-12-17-9/h4-5,7-8H,6H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyHWDNPMIJPJPXIF-QMMMGPOBSA-N
MW256.33 g/mol
LogP1.71
Rot. Bonds5

About (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 167758483) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID167758483
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccns1
InChIInChI=1S/C11H16N2O3S/c1-7(2)6-8(11(15)16)13(3)10(14)9-4-5-12-17-9/h4-5,7-8H,6H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyHWDNPMIJPJPXIF-QMMMGPOBSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
CID 110835292
4-methyl-2-[methyl-(5-methylfuran-2-carbonyl)amino]pentanoic acid
CID 110836764
4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid
CID 110836313
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)-methylamino]-4-methylpentanoic acid
CID 110835312
N,N-dipropyl-1,2-thiazole-5-carboxamide
CID 110692163
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid
CID 110834473
tert-butyl N-methyl-N-[(2S)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
CID 165468098
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
(2S)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-4-methylpentanoic acid
CID 54010435
(2S)-2-[(4-bromophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70068903

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid (CID 167758483) is (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](C(=O)O)N(C)C(=O)c1ccns1.
What is the InChIKey of (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is HWDNPMIJPJPXIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)6-8(11(15)16)13(3)10(14)9-4-5-12-17-9/h4-5,7-8H,6H2,1-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 167758483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).