1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C14H22N2O4 — CID 122013023

IUPAC1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESC=C(C)C1OCCC1CNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O4/c1-9(2)12-10(4-6-20-12)7-15-14(19)16-5-3-11(8-16)13(17)18/h10-12H,1,3-8H2,2H3,(H,15,19)(H,17,18)
InChIKeyZXNQIEBBEYCBQP-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.08
Rot. Bonds4

About 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122013023) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122013023
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESC=C(C)C1OCCC1CNC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O4/c1-9(2)12-10(4-6-20-12)7-15-14(19)16-5-3-11(8-16)13(17)18/h10-12H,1,3-8H2,2H3,(H,15,19)(H,17,18)
InChIKeyZXNQIEBBEYCBQP-UHFFFAOYSA-N
XLogP1.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide
CID 136539634
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
CID 114105361
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 129400499
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
4-[(2-methylcyclopentyl)methylcarbamoyl]morpholine-2-carboxylic acid
CID 107419874
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810

Frequently Asked Questions

What is the IUPAC name of 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122013023) is 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is C=C(C)C1OCCC1CNC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZXNQIEBBEYCBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)12-10(4-6-20-12)7-15-14(19)16-5-3-11(8-16)13(17)18/h10-12H,1,3-8H2,2H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122013023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).