(2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid

C8H15NO3 — CID 69111982

IUPAC(2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)CC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-5(10)2-6-3-7(8(11)12)9-4-6/h5-7,9-10H,2-4H2,1H3,(H,11,12)/t5?,6?,7-/m0/s1
InChIKeyHSWNCPQCKIUQTG-AHXFUIDQSA-N
MW173.21 g/mol
LogP-0.18
Rot. Bonds3

About (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid

(2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 69111982) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID69111982
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)CC1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-5(10)2-6-3-7(8(11)12)9-4-6/h5-7,9-10H,2-4H2,1H3,(H,11,12)/t5?,6?,7-/m0/s1
InChIKeyHSWNCPQCKIUQTG-AHXFUIDQSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid (CID 69111982) is (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid is CC(O)CC1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HSWNCPQCKIUQTG-AHXFUIDQSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(10)2-6-3-7(8(11)12)9-4-6/h5-7,9-10H,2-4H2,1H3,(H,11,12)/t5?,6?,7-/m0/s1.
What are the key properties of (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
(2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69111982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).