(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid

C15H23NO3S — CID 119364370

IUPAC(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid
SMILESCc1ccc(CCCC(=O)N[C@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C15H23NO3S/c1-10(2)9-13(15(18)19)16-14(17)6-4-5-12-8-7-11(3)20-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyOVGPOHQCYAWWIZ-CYBMUJFWSA-N
MW297.42 g/mol
LogP2.99
Rot. Bonds8

About (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid

(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid (PubChem CID 119364370) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid
PubChem CID119364370
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid
SMILESCc1ccc(CCCC(=O)N[C@H](CC(C)C)C(=O)O)s1
InChIInChI=1S/C15H23NO3S/c1-10(2)9-13(15(18)19)16-14(17)6-4-5-12-8-7-11(3)20-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyOVGPOHQCYAWWIZ-CYBMUJFWSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-4-methylpentanoic acid
CID 119363271
(2S)-2-[[2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695178
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
4-methyl-2-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 43091779
4-[4-(5-methylthiophen-2-yl)butanoylamino]-5-phenylpentanoic acid
CID 120547335
N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119668327
(2S)-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307425
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
2-[3-(4-bromothiophen-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188027
4-amino-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-oxobutanoic acid
CID 43171463

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid (CID 119364370) is (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid is Cc1ccc(CCCC(=O)N[C@H](CC(C)C)C(=O)O)s1.
What is the InChIKey of (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid?
The InChIKey is OVGPOHQCYAWWIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10(2)9-13(15(18)19)16-14(17)6-4-5-12-8-7-11(3)20-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid?
(2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid has a molecular weight of 297.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[4-(5-methylthiophen-2-yl)butanoylamino]pentanoic acid is sourced from PubChem (CID 119364370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).