2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide

C9H13N3O2S — CID 79023007

IUPAC2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
SMILESCC[C@H](N)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H13N3O2S/c1-2-6(10)8(14)12-9-5(7(11)13)3-4-15-9/h3-4,6H,2,10H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKeyKJAUJRJWWIBCGR-LURJTMIESA-N
MW227.29 g/mol
LogP0.52
Rot. Bonds4

About 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide (PubChem CID 79023007) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
PubChem CID79023007
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
SMILESCC[C@H](N)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H13N3O2S/c1-2-6(10)8(14)12-9-5(7(11)13)3-4-15-9/h3-4,6H,2,10H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKeyKJAUJRJWWIBCGR-LURJTMIESA-N
XLogP0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180
2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9444116
2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
CID 47287881
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8940061

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide (CID 79023007) is 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide is CC[C@H](N)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide?
The InChIKey is KJAUJRJWWIBCGR-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-6(10)8(14)12-9-5(7(11)13)3-4-15-9/h3-4,6H,2,10H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 79023007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).