4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid

C13H21NO4 — CID 66256630

IUPAC4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)CC1CCCC1
InChIInChI=1S/C13H21NO4/c1-13(12(16)17)8-18-7-10(13)14-11(15)6-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyFXLYJVYBHRZREV-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.17
Rot. Bonds4

About 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66256630) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66256630
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)CC1CCCC1
InChIInChI=1S/C13H21NO4/c1-13(12(16)17)8-18-7-10(13)14-11(15)6-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyFXLYJVYBHRZREV-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086
4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66250740
3-methyl-4-(3-methylsulfanylpropanoylamino)oxolane-3-carboxylic acid
CID 66256999
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66255483
4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66248319
4-[(2,2-dimethylcyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 79871435
4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250560
4-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249785
3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249187
3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175667
3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
CID 66256802

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66256630) is 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)CC1CCCC1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is FXLYJVYBHRZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(12(16)17)8-18-7-10(13)14-11(15)6-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66256630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).