5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid

C12H21NO4S — CID 54875063

IUPAC5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
SMILESCOCCN(C(=O)CCCC(=O)O)C1CCSC1
InChIInChI=1S/C12H21NO4S/c1-17-7-6-13(10-5-8-18-9-10)11(14)3-2-4-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyQTGPCTCTTPQKEH-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.22
Rot. Bonds8

About 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid

5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid (PubChem CID 54875063) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
PubChem CID54875063
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
SMILESCOCCN(C(=O)CCCC(=O)O)C1CCSC1
InChIInChI=1S/C12H21NO4S/c1-17-7-6-13(10-5-8-18-9-10)11(14)3-2-4-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyQTGPCTCTTPQKEH-UHFFFAOYSA-N
XLogP1.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic 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

7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
CID 54871392
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
N-cyclopropyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79203731
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
CID 54875337
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid (CID 54875063) is 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid is COCCN(C(=O)CCCC(=O)O)C1CCSC1.
What is the InChIKey of 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is QTGPCTCTTPQKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-17-7-6-13(10-5-8-18-9-10)11(14)3-2-4-12(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid?
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 275.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 54875063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).