1-(oxan-4-yl)pyrrolidine-2-carboxylic acid

C10H17NO3 — CID 51063851

IUPAC1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCOCC1
InChIInChI=1S/C10H17NO3/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8/h8-9H,1-7H2,(H,12,13)
InChIKeyVPEJNVLGEJBYLH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds2

About 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid

1-(oxan-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 51063851) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID51063851
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCOCC1
InChIInChI=1S/C10H17NO3/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8/h8-9H,1-7H2,(H,12,13)
InChIKeyVPEJNVLGEJBYLH-UHFFFAOYSA-N
XLogP0.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
2-methyl-1-[1-(oxan-4-yl)pyrrolidin-2-yl]prop-2-en-1-one
CID 91452980
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid (CID 51063851) is 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VPEJNVLGEJBYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)9-2-1-5-11(9)8-3-6-14-7-4-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).