4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid

C10H15NO4 — CID 66255483

IUPAC4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CC1
InChIInChI=1S/C10H15NO4/c1-10(9(13)14)5-15-4-7(10)11-8(12)6-2-3-6/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyZMGNEFLCAUGIBQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.00
Rot. Bonds3

About 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid

4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66255483) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66255483
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)C1CC1
InChIInChI=1S/C10H15NO4/c1-10(9(13)14)5-15-4-7(10)11-8(12)6-2-3-6/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyZMGNEFLCAUGIBQ-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(oxolane-3-carbonylamino)oxolane-3-carboxylic acid
CID 66256802
3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
CID 66249534
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 83193572
3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175667
3-methyl-4-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66248512
4-[(4-aminooxolane-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249530
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086
3-methyl-4-[(4-methylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66250893
4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256630
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 104903670
4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66248351

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid (CID 66255483) is 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is ZMGNEFLCAUGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(9(13)14)5-15-4-7(10)11-8(12)6-2-3-6/h6-7H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid?
4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66255483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).