5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid

C13H19NO6 — CID 102688226

IUPAC5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOC(=O)CN(C(=O)C1CCC(C(=O)O)O1)C1CC1
InChIInChI=1S/C13H19NO6/c1-2-19-11(15)7-14(8-3-4-8)12(16)9-5-6-10(20-9)13(17)18/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyQQQRTXFHFBNYLE-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.17
Rot. Bonds6

About 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid

5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688226) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688226
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOC(=O)CN(C(=O)C1CCC(C(=O)O)O1)C1CC1
InChIInChI=1S/C13H19NO6/c1-2-19-11(15)7-14(8-3-4-8)12(16)9-5-6-10(20-9)13(17)18/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyQQQRTXFHFBNYLE-UHFFFAOYSA-N
XLogP0.17
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945135
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
(2R,5S)-5-[cyclopropyl(cyclopropylmethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945325
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687708
(1S,6R)-6-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962226
6-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950323
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944218
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
CID 61328078
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688226) is 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid is CCOC(=O)CN(C(=O)C1CCC(C(=O)O)O1)C1CC1.
What is the InChIKey of 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is QQQRTXFHFBNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6/c1-2-19-11(15)7-14(8-3-4-8)12(16)9-5-6-10(20-9)13(17)18/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid?
5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).