5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid

C12H16N2O4S — CID 115287506

IUPAC5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
SMILESNC(C(=O)NCC1CCC(C(=O)O)O1)c1cccs1
InChIInChI=1S/C12H16N2O4S/c13-10(9-2-1-5-19-9)11(15)14-6-7-3-4-8(18-7)12(16)17/h1-2,5,7-8,10H,3-4,6,13H2,(H,14,15)(H,16,17)
InChIKeyXUAKAEKTPYWJCR-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.50
Rot. Bonds5

About 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 115287506) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID115287506
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
SMILESNC(C(=O)NCC1CCC(C(=O)O)O1)c1cccs1
InChIInChI=1S/C12H16N2O4S/c13-10(9-2-1-5-19-9)11(15)14-6-7-3-4-8(18-7)12(16)17/h1-2,5,7-8,10H,3-4,6,13H2,(H,14,15)(H,16,17)
InChIKeyXUAKAEKTPYWJCR-UHFFFAOYSA-N
XLogP0.50
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic 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-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244684
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxylic acid
CID 106312530
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 113487602
2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287121
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
2-amino-N-[2-(oxan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 114136015
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
1-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444446
N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
CID 75483143

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid (CID 115287506) is 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid is NC(C(=O)NCC1CCC(C(=O)O)O1)c1cccs1.
What is the InChIKey of 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is XUAKAEKTPYWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c13-10(9-2-1-5-19-9)11(15)14-6-7-3-4-8(18-7)12(16)17/h1-2,5,7-8,10H,3-4,6,13H2,(H,14,15)(H,16,17).
What are the key properties of 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 115287506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).