(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid

C13H19NO3S — CID 107563412

IUPAC(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(C)c(CC)s1)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-4-6-9(13(16)17)14-12(15)11-7-8(3)10(5-2)18-11/h7,9H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyVQOZWROBNYOWLW-SECBINFHSA-N
MW269.37 g/mol
LogP2.60
Rot. Bonds6

About (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid

(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 107563412) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid
PubChem CID107563412
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(C)c(CC)s1)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-4-6-9(13(16)17)14-12(15)11-7-8(3)10(5-2)18-11/h7,9H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyVQOZWROBNYOWLW-SECBINFHSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563587
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
5-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 78802800
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 43630338
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981900
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981541
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanedioic acid
CID 79981827
(2S)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanedioic acid
CID 79981681
5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 103799470
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153074
(2S)-2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564702
5-ethyl-N-(2-methoxyethoxy)-4-methylthiophene-2-carboxamide
CID 79675744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid (CID 107563412) is (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cc(C)c(CC)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is VQOZWROBNYOWLW-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-6-9(13(16)17)14-12(15)11-7-8(3)10(5-2)18-11/h7,9H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid?
(2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107563412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).