5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid

C13H19NO3S — CID 82009173

IUPAC5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1ccc(C(=O)NCC(C)CCC(=O)O)s1
InChIInChI=1S/C13H19NO3S/c1-3-10-5-6-11(18-10)13(17)14-8-9(2)4-7-12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHBPPIEXIZFRWHX-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.54
Rot. Bonds7

About 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid

5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82009173) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82009173
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1ccc(C(=O)NCC(C)CCC(=O)O)s1
InChIInChI=1S/C13H19NO3S/c1-3-10-5-6-11(18-10)13(17)14-8-9(2)4-7-12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHBPPIEXIZFRWHX-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide
CID 107157520
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
6-[(5-ethylthiophen-2-yl)methylamino]-4-methylhexanoic acid
CID 65287603
3-[(5-ethylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81368751
4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 82684188
4-[(5-ethylthiophene-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001322
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid (CID 82009173) is 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid is CCc1ccc(C(=O)NCC(C)CCC(=O)O)s1.
What is the InChIKey of 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is HBPPIEXIZFRWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-10-5-6-11(18-10)13(17)14-8-9(2)4-7-12(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid?
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82009173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).