2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid

C14H20N2O4S — CID 79265517

IUPAC2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)N(CC(=O)O)C(C)(C)C)s1
InChIInChI=1S/C14H20N2O4S/c1-9-5-6-10(21-9)13(20)15-7-11(17)16(8-12(18)19)14(2,3)4/h5-6H,7-8H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyDNIGFQWWGBLUCN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.50
Rot. Bonds5

About 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid

2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 79265517) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID79265517
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)N(CC(=O)O)C(C)(C)C)s1
InChIInChI=1S/C14H20N2O4S/c1-9-5-6-10(21-9)13(20)15-7-11(17)16(8-12(18)19)14(2,3)4/h5-6H,7-8H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyDNIGFQWWGBLUCN-UHFFFAOYSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 64672275
5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47160134
N-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 22300917
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 61031833
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18209907
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2399511
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55347433
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578701
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid (CID 79265517) is 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid is Cc1ccc(C(=O)NCC(=O)N(CC(=O)O)C(C)(C)C)s1.
What is the InChIKey of 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is DNIGFQWWGBLUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-5-6-10(21-9)13(20)15-7-11(17)16(8-12(18)19)14(2,3)4/h5-6H,7-8H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 79265517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).