1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid

C12H21NO3 — CID 65161719

IUPAC1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCCC1CCCO1
InChIInChI=1S/C12H21NO3/c14-12(15)11-6-2-8-13(11)7-1-4-10-5-3-9-16-10/h10-11H,1-9H2,(H,14,15)
InChIKeyNONXRRDKQJOQRY-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds5

About 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid

1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 65161719) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID65161719
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCCC1CCCO1
InChIInChI=1S/C12H21NO3/c14-12(15)11-6-2-8-13(11)7-1-4-10-5-3-9-16-10/h10-11H,1-9H2,(H,14,15)
InChIKeyNONXRRDKQJOQRY-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxydodecyl)pyrrolidine-2-carboxylic acid
CID 20447634
1-(Oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 43441874
(2S)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid
CID 53730450
(2S)-1-(2-hydroxydodecyl)pyrrolidine-2-carboxylic acid
CID 54326121
(2R)-1-(2-hydroxytetradecyl)pyrrolidine-2-carboxylic acid
CID 56618305
(2S)-1-[(2S)-2-hydroxytetradecyl]pyrrolidine-2-carboxylic acid
CID 57009038
(2S)-1-[(2R)-2-hydroxytetradecyl]pyrrolidine-2-carboxylic acid
CID 57155810
(2S)-1-(2-hydroxyhexadecyl)pyrrolidine-2-carboxylic acid
CID 57323839
1-(3-Propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 59148061
1-(2-Propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 59148161
1-(Oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 61313231
(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67774695

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid (CID 65161719) is 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NONXRRDKQJOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-12(15)11-6-2-8-13(11)7-1-4-10-5-3-9-16-10/h10-11H,1-9H2,(H,14,15).
What are the key properties of 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65161719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).