(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate

C12H21NO8 — CID 14183616

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCNC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-7;5-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m11/s1
InChIKeyHHPGQKZOPPDLNH-NWAAXCJESA-N
MW307.30 g/mol
LogP-1.57
Rot. Bonds5

About (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate

(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate (PubChem CID 14183616) has the molecular formula C12H21NO8 and a molecular weight of 307.30 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
PubChem CID14183616
Molecular FormulaC12H21NO8
Molecular Weight307.30 g/mol
Exact Mass307.13
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCNC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-7;5-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m11/s1
InChIKeyHHPGQKZOPPDLNH-NWAAXCJESA-N
XLogP-1.57
TPSA153.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
heptyl piperidine-3-carboxylate
CID 13360541
3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
CID 81119867
2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
1-ethoxypropan-2-yl piperidine-3-carboxylate
CID 103489226
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid
CID 134159797

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate (CID 14183616) is (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCNC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate?
The InChIKey is HHPGQKZOPPDLNH-NWAAXCJESA-N. The full InChI is InChI=1S/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-7;5-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m11/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate?
(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate has a molecular weight of 307.30 g/mol, XLogP of -1.57, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (3R)-piperidine-3-carboxylate is sourced from PubChem (CID 14183616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).