ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate

C9H17NO3 — CID 10583746

IUPACethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O)CN1CC
InChIInChI=1S/C9H17NO3/c1-3-10-6-7(11)5-8(10)9(12)13-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBWAFKIUICWIDMI-HTQZYQBOSA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds3

About ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate

ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 10583746) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate
PubChem CID10583746
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O)CN1CC
InChIInChI=1S/C9H17NO3/c1-3-10-6-7(11)5-8(10)9(12)13-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyBWAFKIUICWIDMI-HTQZYQBOSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxaceprol
CID 65784
Betonicine
CID 164642
4-hydroxy-N-methylproline
CID 11768700
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 9860390
N-Boc-cis-4-hydroxy-L-proline methyl ester
CID 10752873
Turicine
CID 6560290
(2s,4r)-4-Hydroxy-1,1-Dimethylpyrrolidinium-2-Carboxylate
CID 164643
(2R,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 667435
(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 88804
(2S,4S)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 688614
Ethyl (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate
CID 10942897
(4S)-4-Hydroxy-1-methyl-D-proline
CID 12313446

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate (CID 10583746) is ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](O)CN1CC.
What is the InChIKey of ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is BWAFKIUICWIDMI-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10-6-7(11)5-8(10)9(12)13-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate?
ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-1-ethyl-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 10583746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).