2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid

C11H16N2O3S — CID 43466825

IUPAC2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)N(C)Cc1ccsc1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-8(11(15)16)12-5-10(14)13(2)6-9-3-4-17-7-9/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyNVMDKTUIUYLTGP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.77
Rot. Bonds6

About 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid

2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466825) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466825
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(NCC(=O)N(C)Cc1ccsc1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-8(11(15)16)12-5-10(14)13(2)6-9-3-4-17-7-9/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyNVMDKTUIUYLTGP-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
(2R)-4-hydroxy-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 107826201
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466825) is 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid is CC(NCC(=O)N(C)Cc1ccsc1)C(=O)O.
What is the InChIKey of 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is NVMDKTUIUYLTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(11(15)16)12-5-10(14)13(2)6-9-3-4-17-7-9/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid?
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).