3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid

C7H13NO3 — CID 155895517

IUPAC3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1C(O)CNC1C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-4-5(9)3-8-6(4)7(10)11/h4-6,8-9H,2-3H2,1H3,(H,10,11)
InChIKeyUPVZLRBZXXOIQN-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.57
Rot. Bonds2

About 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid

3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 155895517) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID155895517
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1C(O)CNC1C(=O)O
InChIInChI=1S/C7H13NO3/c1-2-4-5(9)3-8-6(4)7(10)11/h4-6,8-9H,2-3H2,1H3,(H,10,11)
InChIKeyUPVZLRBZXXOIQN-UHFFFAOYSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 11997709
(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid;hydrate
CID 11954253
3-methylazetidine-2-carboxylic acid
CID 22326246
5-ethyl-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 18336802
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
4-(1-carboxyethyl)-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
CID 164608551
4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70921415
(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294721
(2S,3R,4S)-4-amino-3-hydroxypyrrolidine-2-carboxylic acid
CID 11744767

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 155895517) is 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid is CCC1C(O)CNC1C(=O)O.
What is the InChIKey of 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UPVZLRBZXXOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-4-5(9)3-8-6(4)7(10)11/h4-6,8-9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid?
3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155895517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).