(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide

C13H18N2O5 — CID 5276347

IUPAC(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1ccoc1
InChIInChI=1S/C13H18N2O5/c1-7(2)14-12(18)10-11(17)9(16)5-15(10)13(19)8-3-4-20-6-8/h3-4,6-7,9-11,16-17H,5H2,1-2H3,(H,14,18)/t9-,10-,11+/m0/s1
InChIKeyOOHUDPYJGDLGMS-GARJFASQSA-N
MW282.30 g/mol
LogP-0.65
Rot. Bonds3

About (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 5276347) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID5276347
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1ccoc1
InChIInChI=1S/C13H18N2O5/c1-7(2)14-12(18)10-11(17)9(16)5-15(10)13(19)8-3-4-20-6-8/h3-4,6-7,9-11,16-17H,5H2,1-2H3,(H,14,18)/t9-,10-,11+/m0/s1
InChIKeyOOHUDPYJGDLGMS-GARJFASQSA-N
XLogP-0.65
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-N-cyclohexyl-1-(furan-3-carbonyl)-3,4-dihydroxypyrrolidine-2-carboxamide
CID 11244168
furan-3-yl-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone;N-propan-2-ylacetamide
CID 143239707
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223
(2S,3R,4S)-1-benzoyl-N-butyl-3,4-dihydroxypyrrolidine-2-carboxamide
CID 11266759
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide (CID 5276347) is (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1ccoc1.
What is the InChIKey of (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is OOHUDPYJGDLGMS-GARJFASQSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-7(2)14-12(18)10-11(17)9(16)5-15(10)13(19)8-3-4-20-6-8/h3-4,6-7,9-11,16-17H,5H2,1-2H3,(H,14,18)/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5276347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).