2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid

C12H16N2O5S — CID 106108149

IUPAC2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)CNC(=O)c1ccc(C)s1)C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-7-3-4-9(20-7)11(16)14-6-10(15)13-5-8(19-2)12(17)18/h3-4,8H,5-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyKKKBUJFBFVOFAZ-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.00
Rot. Bonds7

About 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid

2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid (PubChem CID 106108149) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
PubChem CID106108149
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)CNC(=O)c1ccc(C)s1)C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-7-3-4-9(20-7)11(16)14-6-10(15)13-5-8(19-2)12(17)18/h3-4,8H,5-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyKKKBUJFBFVOFAZ-UHFFFAOYSA-N
XLogP0.00
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 115699814
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304
3-methyl-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 64672275

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid (CID 106108149) is 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid is COC(CNC(=O)CNC(=O)c1ccc(C)s1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid?
The InChIKey is KKKBUJFBFVOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-7-3-4-9(20-7)11(16)14-6-10(15)13-5-8(19-2)12(17)18/h3-4,8H,5-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid?
2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 106108149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).