(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one

C7H14N2O2 — CID 96680847

IUPAC(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESNC[C@H]1CCC(=O)N1CCO
InChIInChI=1S/C7H14N2O2/c8-5-6-1-2-7(11)9(6)3-4-10/h6,10H,1-5,8H2/t6-/m1/s1
InChIKeyHCIQCHVCXTYIAP-ZCFIWIBFSA-N
MW158.20 g/mol
LogP-1.07
Rot. Bonds3

About (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one

(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 96680847) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID96680847
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESNC[C@H]1CCC(=O)N1CCO
InChIInChI=1S/C7H14N2O2/c8-5-6-1-2-7(11)9(6)3-4-10/h6,10H,1-5,8H2/t6-/m1/s1
InChIKeyHCIQCHVCXTYIAP-ZCFIWIBFSA-N
XLogP-1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one (CID 96680847) is (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one is NC[C@H]1CCC(=O)N1CCO.
What is the InChIKey of (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is HCIQCHVCXTYIAP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-6-1-2-7(11)9(6)3-4-10/h6,10H,1-5,8H2/t6-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one?
(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 96680847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).