tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate

C14H26N2O3 — CID 168658834

IUPACtert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N1CC(CN)CC1=O
InChIInChI=1S/C14H26N2O3/c1-5-6-11(13(18)19-14(2,3)4)16-9-10(8-15)7-12(16)17/h10-11H,5-9,15H2,1-4H3
InChIKeyZTDAAWIBLGYFOV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds5

About tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate

tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate (PubChem CID 168658834) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Nametert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate
PubChem CID168658834
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N1CC(CN)CC1=O
InChIInChI=1S/C14H26N2O3/c1-5-6-11(13(18)19-14(2,3)4)16-9-10(8-15)7-12(16)17/h10-11H,5-9,15H2,1-4H3
InChIKeyZTDAAWIBLGYFOV-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanoate
CID 22387022
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168658755
tert-butyl (2R)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)butanoate
CID 168707725
(2S)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168658757
1-[1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carbothioic S-acid
CID 59256860
(3S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674692
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
(2R)-2-[(4R)-4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 135828034
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168658950
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168655566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate?
The IUPAC name of tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate (CID 168658834) is tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate.
What is the SMILES notation for tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate?
The canonical SMILES for tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate is CCCC(C(=O)OC(C)(C)C)N1CC(CN)CC1=O.
What is the InChIKey of tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate?
The InChIKey is ZTDAAWIBLGYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-6-11(13(18)19-14(2,3)4)16-9-10(8-15)7-12(16)17/h10-11H,5-9,15H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate?
tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 168658834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).