(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid

C17H22N2O3S — CID 99701940

IUPAC(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid
SMILESCc1cc(C)c2c(C)c(C(=O)N[C@@H](CC(C)C)C(=O)O)sc2n1
InChIInChI=1S/C17H22N2O3S/c1-8(2)6-12(17(21)22)19-15(20)14-11(5)13-9(3)7-10(4)18-16(13)23-14/h7-8,12H,6H2,1-5H3,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyFFSLOLJNHIILBO-LBPRGKRZSA-N
MW334.44 g/mol
LogP3.45
Rot. Bonds5

About (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 99701940) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid
PubChem CID99701940
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid
SMILESCc1cc(C)c2c(C)c(C(=O)N[C@@H](CC(C)C)C(=O)O)sc2n1
InChIInChI=1S/C17H22N2O3S/c1-8(2)6-12(17(21)22)19-15(20)14-11(5)13-9(3)7-10(4)18-16(13)23-14/h7-8,12H,6H2,1-5H3,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyFFSLOLJNHIILBO-LBPRGKRZSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
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(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975741
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033891
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
(2S)-2-[[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695115
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid (CID 99701940) is (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid is Cc1cc(C)c2c(C)c(C(=O)N[C@@H](CC(C)C)C(=O)O)sc2n1.
What is the InChIKey of (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is FFSLOLJNHIILBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-8(2)6-12(17(21)22)19-15(20)14-11(5)13-9(3)7-10(4)18-16(13)23-14/h7-8,12H,6H2,1-5H3,(H,19,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 334.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 99701940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).