1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid

C13H15NO5 — CID 124567918

IUPAC1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCO[C@H](c3ccco3)C2)CC1
InChIInChI=1S/C13H15NO5/c15-11(13(3-4-13)12(16)17)14-5-7-19-10(8-14)9-2-1-6-18-9/h1-2,6,10H,3-5,7-8H2,(H,16,17)/t10-/m0/s1
InChIKeyLJXDUJIVGFJADA-JTQLQIEISA-N
MW265.26 g/mol
LogP1.04
Rot. Bonds3

About 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid

1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 124567918) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID124567918
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCO[C@H](c3ccco3)C2)CC1
InChIInChI=1S/C13H15NO5/c15-11(13(3-4-13)12(16)17)14-5-7-19-10(8-14)9-2-1-6-18-9/h1-2,6,10H,3-5,7-8H2,(H,16,17)/t10-/m0/s1
InChIKeyLJXDUJIVGFJADA-JTQLQIEISA-N
XLogP1.04
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 138000629
(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 99601315
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
2-(furan-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)morpholine-4-carboxamide
CID 136532052
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609246
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 124619649
N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 136513669
[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone
CID 78153988

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid (CID 124567918) is 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N2CCO[C@H](c3ccco3)C2)CC1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is LJXDUJIVGFJADA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO5/c15-11(13(3-4-13)12(16)17)14-5-7-19-10(8-14)9-2-1-6-18-9/h1-2,6,10H,3-5,7-8H2,(H,16,17)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124567918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).