(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid

C13H17NO4 — CID 171138236

IUPAC(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1CC=Cc1ccco1
InChIInChI=1S/C13H17NO4/c15-10-5-7-14(12(9-10)13(16)17)6-1-3-11-4-2-8-18-11/h1-4,8,10,12,15H,5-7,9H2,(H,16,17)/t10-,12+/m0/s1
InChIKeyCLNIZSGHSNCMAC-CMPLNLGQSA-N
MW251.28 g/mol
LogP1.20
Rot. Bonds4

About (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid

(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid (PubChem CID 171138236) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid
PubChem CID171138236
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1CC=Cc1ccco1
InChIInChI=1S/C13H17NO4/c15-10-5-7-14(12(9-10)13(16)17)6-1-3-11-4-2-8-18-11/h1-4,8,10,12,15H,5-7,9H2,(H,16,17)/t10-,12+/m0/s1
InChIKeyCLNIZSGHSNCMAC-CMPLNLGQSA-N
XLogP1.20
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid
CID 66993125
(2S,3aS,7aR)-1-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129353997
3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 76952514
(2S,4R)-4-hydroxy-1-[(1-prop-2-enylbenzimidazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 133125273
(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
CID 133112671
[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 26133897
4-[3-(furan-2-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073562
(3S)-4-[(Z)-3-(furan-2-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 129407884
2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95219305
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid (CID 171138236) is (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CCN1CC=Cc1ccco1.
What is the InChIKey of (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid?
The InChIKey is CLNIZSGHSNCMAC-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17NO4/c15-10-5-7-14(12(9-10)13(16)17)6-1-3-11-4-2-8-18-11/h1-4,8,10,12,15H,5-7,9H2,(H,16,17)/t10-,12+/m0/s1.
What are the key properties of (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid?
(2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[3-(furan-2-yl)prop-2-enyl]-4-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 171138236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).