(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid

C11H14N2O4S — CID 55229401

IUPAC(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCCc1ccsc1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-2-6-3-4-18-9(6)10(15)13-7(11(16)17)5-8(12)14/h3-4,7H,2,5H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t7-/m0/s1
InChIKeyKTSCEKGAYCUAON-ZETCQYMHSA-N
MW270.31 g/mol
LogP0.37
Rot. Bonds6

About (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 55229401) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
PubChem CID55229401
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCCc1ccsc1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-2-6-3-4-18-9(6)10(15)13-7(11(16)17)5-8(12)14/h3-4,7H,2,5H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t7-/m0/s1
InChIKeyKTSCEKGAYCUAON-ZETCQYMHSA-N
XLogP0.37
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[(3-chlorothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821326
4-amino-2-[(3-chlorothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 80645014
(2R)-4-amino-2-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107828411
2-[(3-methylthiophene-2-carbonyl)amino]butanoic acid
CID 43387169
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-(1-cyanoethyl)-3-ethylthiophene-2-carboxamide
CID 78989474
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
(2S)-4-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110834843
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid (CID 55229401) is (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid is CCc1ccsc1C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is KTSCEKGAYCUAON-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-6-3-4-18-9(6)10(15)13-7(11(16)17)5-8(12)14/h3-4,7H,2,5H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 270.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(3-ethylthiophene-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 55229401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).