(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid

C7H13NO4 — CID 11997709

IUPAC(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)C1C(O)CN[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO4/c1-3(9)5-4(10)2-8-6(5)7(11)12/h3-6,8-10H,2H2,1H3,(H,11,12)/t3?,4?,5?,6-/m0/s1
InChIKeyICTMCQIANHHROZ-XIURSDRTSA-N
MW175.18 g/mol
LogP-1.60
Rot. Bonds2

About (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 11997709) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID11997709
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)C1C(O)CN[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO4/c1-3(9)5-4(10)2-8-6(5)7(11)12/h3-6,8-10H,2H2,1H3,(H,11,12)/t3?,4?,5?,6-/m0/s1
InChIKeyICTMCQIANHHROZ-XIURSDRTSA-N
XLogP-1.60
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid (CID 11997709) is (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid is CC(O)C1C(O)CN[C@@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ICTMCQIANHHROZ-XIURSDRTSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3(9)5-4(10)2-8-6(5)7(11)12/h3-6,8-10H,2H2,1H3,(H,11,12)/t3?,4?,5?,6-/m0/s1.
What are the key properties of (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11997709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).