(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid

C12H17NO3S — CID 54991565

IUPAC(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)N[C@H](C)C(=O)O)sc1C
InChIInChI=1S/C12H17NO3S/c1-4-5-9-6-10(17-8(9)3)11(14)13-7(2)12(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyMMKGVLLESMMSPB-SSDOTTSWSA-N
MW255.34 g/mol
LogP2.21
Rot. Bonds5

About (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid

(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 54991565) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID54991565
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)N[C@H](C)C(=O)O)sc1C
InChIInChI=1S/C12H17NO3S/c1-4-5-9-6-10(17-8(9)3)11(14)13-7(2)12(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyMMKGVLLESMMSPB-SSDOTTSWSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 63182272
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
2-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pentanoic acid
CID 104682696
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
(2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975412
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 61173794
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid (CID 54991565) is (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid is CCCc1cc(C(=O)N[C@H](C)C(=O)O)sc1C.
What is the InChIKey of (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is MMKGVLLESMMSPB-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-5-9-6-10(17-8(9)3)11(14)13-7(2)12(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid?
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 255.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54991565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).