(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid

C10H17NO3 — CID 151123432

IUPAC(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(CC2CCCO2)CN1
InChIInChI=1S/C10H17NO3/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8/h7-9,11H,1-6H2,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyMSRFSSQTMPPGAJ-HACHORDNSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds3

About (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid

(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 151123432) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID151123432
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(CC2CCCO2)CN1
InChIInChI=1S/C10H17NO3/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8/h7-9,11H,1-6H2,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyMSRFSSQTMPPGAJ-HACHORDNSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 151123432) is (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(CC2CCCO2)CN1.
What is the InChIKey of (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MSRFSSQTMPPGAJ-HACHORDNSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8/h7-9,11H,1-6H2,(H,12,13)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 151123432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).