(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid

C14H21NO4S — CID 107834625

IUPAC(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCCc1sc(C(=O)NCC[C@H](O)C(=O)O)cc1CC
InChIInChI=1S/C14H21NO4S/c1-3-5-11-9(4-2)8-12(20-11)13(17)15-7-6-10(16)14(18)19/h8,10,16H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyCYZYRLSCUMYAFI-JTQLQIEISA-N
MW299.39 g/mol
LogP1.83
Rot. Bonds8

About (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107834625) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107834625
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCCCc1sc(C(=O)NCC[C@H](O)C(=O)O)cc1CC
InChIInChI=1S/C14H21NO4S/c1-3-5-11-9(4-2)8-12(20-11)13(17)15-7-6-10(16)14(18)19/h8,10,16H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyCYZYRLSCUMYAFI-JTQLQIEISA-N
XLogP1.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 114006203
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
CID 81042466
N-[2-(cyclohexanecarbonylamino)ethyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 55806350
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793352
4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
CID 64866994
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 55652795
4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
CID 106353194
2-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pentanoic acid
CID 104682696
4-ethyl-N-[[2-(methanesulfonamido)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 52607278

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid (CID 107834625) is (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid is CCCc1sc(C(=O)NCC[C@H](O)C(=O)O)cc1CC.
What is the InChIKey of (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is CYZYRLSCUMYAFI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-5-11-9(4-2)8-12(20-11)13(17)15-7-6-10(16)14(18)19/h8,10,16H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 299.39 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).