2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid

C10H14N2O3S — CID 43528522

IUPAC2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-11(5-8-3-4-16-7-8)10(15)12(2)6-9(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyLWDFKAMZIFWAIK-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.32
Rot. Bonds4

About 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid

2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 43528522) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID43528522
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-11(5-8-3-4-16-7-8)10(15)12(2)6-9(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyLWDFKAMZIFWAIK-UHFFFAOYSA-N
XLogP1.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(thiophen-3-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61197925
2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197361
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43528496

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid (CID 43528522) is 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)N(C)Cc1ccsc1.
What is the InChIKey of 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is LWDFKAMZIFWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-11(5-8-3-4-16-7-8)10(15)12(2)6-9(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43528522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).