2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid

C10H14N2O3S — CID 115284834

IUPAC2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCC[C@@H](N)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O3S/c1-2-6(11)9(13)12-8(10(14)15)7-4-3-5-16-7/h3-6,8H,2,11H2,1H3,(H,12,13)(H,14,15)/t6-,8?/m1/s1
InChIKeyHAFWNTZDUWXZBZ-XPJFZRNWSA-N
MW242.30 g/mol
LogP0.73
Rot. Bonds5

About 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid

2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284834) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115284834
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
SMILESCC[C@@H](N)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O3S/c1-2-6(11)9(13)12-8(10(14)15)7-4-3-5-16-7/h3-6,8H,2,11H2,1H3,(H,12,13)(H,14,15)/t6-,8?/m1/s1
InChIKeyHAFWNTZDUWXZBZ-XPJFZRNWSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-(2-phenylbutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284115
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278774
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 82964540
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid (CID 115284834) is 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid is CC[C@@H](N)C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is HAFWNTZDUWXZBZ-XPJFZRNWSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-6(11)9(13)12-8(10(14)15)7-4-3-5-16-7/h3-6,8H,2,11H2,1H3,(H,12,13)(H,14,15)/t6-,8?/m1/s1.
What are the key properties of 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid?
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 242.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).