(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid

C12H16N2O4S — CID 107563695

IUPAC(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-2-4-8(12(17)18)14-10(15)7-13-11(16)9-5-3-6-19-9/h3,5-6,8H,2,4,7H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1
InChIKeyVFBRTRSEEGAPON-MRVPVSSYSA-N
MW284.34 g/mol
LogP0.85
Rot. Bonds7

About (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid

(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid (PubChem CID 107563695) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
PubChem CID107563695
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-2-4-8(12(17)18)14-10(15)7-13-11(16)9-5-3-6-19-9/h3,5-6,8H,2,4,7H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1
InChIKeyVFBRTRSEEGAPON-MRVPVSSYSA-N
XLogP0.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
(2R)-4-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 107822711
(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
(2S)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563778
N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 103759054
(2R)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]pentanoic acid
CID 107563658

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid (CID 107563695) is (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid?
The InChIKey is VFBRTRSEEGAPON-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-4-8(12(17)18)14-10(15)7-13-11(16)9-5-3-6-19-9/h3,5-6,8H,2,4,7H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid has a molecular weight of 284.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107563695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).