5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid

C14H21NO3S — CID 103244684

IUPAC5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)C(NCC1CCC(C(=O)O)O1)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-9(2)13(12-4-3-7-19-12)15-8-10-5-6-11(18-10)14(16)17/h3-4,7,9-11,13,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyMFCHUHQZJIZRHW-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.67
Rot. Bonds6

About 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103244684) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID103244684
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)C(NCC1CCC(C(=O)O)O1)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-9(2)13(12-4-3-7-19-12)15-8-10-5-6-11(18-10)14(16)17/h3-4,7,9-11,13,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyMFCHUHQZJIZRHW-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 115287506
N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
CID 75483143
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103263831
(2S,5R)-5-[[[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 124829892
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid (CID 103244684) is 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid is CC(C)C(NCC1CCC(C(=O)O)O1)c1cccs1.
What is the InChIKey of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is MFCHUHQZJIZRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-9(2)13(12-4-3-7-19-12)15-8-10-5-6-11(18-10)14(16)17/h3-4,7,9-11,13,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 283.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103244684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).