trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

C13H15NO4 — CID 99851614

IUPACtrans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C13H15NO4/c15-12(8-7-9(8)13(16)17)14-5-1-3-10(14)11-4-2-6-18-11/h2,4,6,8-10H,1,3,5,7H2,(H,16,17)/t8-,9-,10-/m1/s1
InChIKeyYJIFMIDCSSZDJK-OPRDCNLKSA-N
MW249.27 g/mol
LogP1.66
Rot. Bonds3

About trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 99851614) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID99851614
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nametrans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C13H15NO4/c15-12(8-7-9(8)13(16)17)14-5-1-3-10(14)11-4-2-6-18-11/h2,4,6,8-10H,1,3,5,7H2,(H,16,17)/t8-,9-,10-/m1/s1
InChIKeyYJIFMIDCSSZDJK-OPRDCNLKSA-N
XLogP1.66
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 99851614) is trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is YJIFMIDCSSZDJK-OPRDCNLKSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(8-7-9(8)13(16)17)14-5-1-3-10(14)11-4-2-6-18-11/h2,4,6,8-10H,1,3,5,7H2,(H,16,17)/t8-,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 99851614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).