[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate

C10H18N2O3 — CID 174736066

IUPAC[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1C(=O)CC[C@H]1CN
InChIInChI=1S/C10H18N2O3/c1-10(2,3)9(14)15-12-7(6-11)4-5-8(12)13/h7H,4-6,11H2,1-3H3/t7-/m0/s1
InChIKeyLGFYFHYBNNCZJI-ZETCQYMHSA-N
MW214.26 g/mol
LogP0.44
Rot. Bonds2

About [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate

[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174736066) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174736066
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1C(=O)CC[C@H]1CN
InChIInChI=1S/C10H18N2O3/c1-10(2,3)9(14)15-12-7(6-11)4-5-8(12)13/h7H,4-6,11H2,1-3H3/t7-/m0/s1
InChIKeyLGFYFHYBNNCZJI-ZETCQYMHSA-N
XLogP0.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 174736066) is [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1C(=O)CC[C@H]1CN.
What is the InChIKey of [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is LGFYFHYBNNCZJI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)9(14)15-12-7(6-11)4-5-8(12)13/h7H,4-6,11H2,1-3H3/t7-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate?
[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 214.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174736066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).