4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid

C14H21NO4 — CID 120542195

IUPAC4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCC1=C(C(=O)NCC2(C(=O)O)CCOCC2)CCC1
InChIInChI=1S/C14H21NO4/c1-10-3-2-4-11(10)12(16)15-9-14(13(17)18)5-7-19-8-6-14/h2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyMLVZYTZNGGPMKI-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.48
Rot. Bonds4

About 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542195) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120542195
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCC1=C(C(=O)NCC2(C(=O)O)CCOCC2)CCC1
InChIInChI=1S/C14H21NO4/c1-10-3-2-4-11(10)12(16)15-9-14(13(17)18)5-7-19-8-6-14/h2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyMLVZYTZNGGPMKI-UHFFFAOYSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-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

4-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438424
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
4-[(2,2-dimethylpropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440388
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438275
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438216
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
4-[[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542427

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 120542195) is 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid is CC1=C(C(=O)NCC2(C(=O)O)CCOCC2)CCC1.
What is the InChIKey of 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is MLVZYTZNGGPMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-3-2-4-11(10)12(16)15-9-14(13(17)18)5-7-19-8-6-14/h2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylcyclopentene-1-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).