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

C10H17NO3 — CID 117270033

IUPAC4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(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)
InChIKeyMSRFSSQTMPPGAJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds3

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

4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 117270033) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID117270033
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(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)
InChIKeyMSRFSSQTMPPGAJ-UHFFFAOYSA-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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Related Compounds

[4-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270533
2-(cyclopropylmethyl)oxolane
CID 57067840
(2S,4R)-4-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 11217395
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 126845754
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
2-methyl-4-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117270063
4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 117269914
4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
CID 69349870
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 117270033) is 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(CC2CCCO2)CN1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MSRFSSQTMPPGAJ-UHFFFAOYSA-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).
What are the key properties of 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
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 4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117270033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).