1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C14H22N2O4 — CID 103849099

IUPAC1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-5-11(7-16(12)6-10-1-2-10)13(18)15-8-14(19)3-4-20-9-14/h10-11,19H,1-9H2,(H,15,18)
InChIKeyAUBGVFQRCWICGX-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.49
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 103849099) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID103849099
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-5-11(7-16(12)6-10-1-2-10)13(18)15-8-14(19)3-4-20-9-14/h10-11,19H,1-9H2,(H,15,18)
InChIKeyAUBGVFQRCWICGX-UHFFFAOYSA-N
XLogP-0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 103849099) is 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCC1(O)CCOC1)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AUBGVFQRCWICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-5-11(7-16(12)6-10-1-2-10)13(18)15-8-14(19)3-4-20-9-14/h10-11,19H,1-9H2,(H,15,18).
What are the key properties of 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103849099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).