[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C14H21NO3S — CID 97006868

IUPAC[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)O[C@@H](C)CC(C)C)s1
InChIInChI=1S/C14H21NO3S/c1-9(2)7-10(3)18-13(16)8-15-14(17)12-6-5-11(4)19-12/h5-6,9-10H,7-8H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyMZYSWPKTSCDGPI-JTQLQIEISA-N
MW283.39 g/mol
LogP2.76
Rot. Bonds6

About [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 97006868) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID97006868
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)O[C@@H](C)CC(C)C)s1
InChIInChI=1S/C14H21NO3S/c1-9(2)7-10(3)18-13(16)8-15-14(17)12-6-5-11(4)19-12/h5-6,9-10H,7-8H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyMZYSWPKTSCDGPI-JTQLQIEISA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
Ethyl 2-[(5-bromo-2-thienyl)carbonylamino]acetate
CID 2225106
Methyl 4-methyl-2-(2-thienylcarbonylamino)pentanoate
CID 2916225
2-[(5-Methylthiophen-2-yl)formamido]acetic acid
CID 2392412
4,5-dimethyl-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
CID 19585414
4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 24684648
Methyl 2-[(5-methyl-2-thienyl)carbonylamino]acetate
CID 2421923
Ethyl N-(thiophene-2-carbonyl)glycinate
CID 1720748
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110
N-{[5-(3-hydroxy-3-methyl-1-butyn-1-yl)-2-thienyl]carbonyl}leucine
CID 2954905
N,N'-bis(2-methoxyethyl)-2,5-thiophenedicarboxamide
CID 2225831
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2400376

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 97006868) is [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)O[C@@H](C)CC(C)C)s1.
What is the InChIKey of [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is MZYSWPKTSCDGPI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO3S/c1-9(2)7-10(3)18-13(16)8-15-14(17)12-6-5-11(4)19-12/h5-6,9-10H,7-8H2,1-4H3,(H,15,17)/t10-/m0/s1.
What are the key properties of [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 283.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 97006868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).