tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate

C12H24N2O2 — CID 81467364

IUPACtert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
SMILESCC1CC(NCC(=O)OC(C)(C)C)CN1C
InChIInChI=1S/C12H24N2O2/c1-9-6-10(8-14(9)5)13-7-11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeySWYBOKHZLYJHPC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds3

About tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate

tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate (PubChem CID 81467364) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
PubChem CID81467364
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
SMILESCC1CC(NCC(=O)OC(C)(C)C)CN1C
InChIInChI=1S/C12H24N2O2/c1-9-6-10(8-14(9)5)13-7-11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeySWYBOKHZLYJHPC-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
tert-butyl 2-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103782669
tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
CID 103785646
tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284326
2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
CID 121230383
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
CID 146609548
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
1,5-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115712930
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
CID 106171661
N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 81333096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate (CID 81467364) is tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate is CC1CC(NCC(=O)OC(C)(C)C)CN1C.
What is the InChIKey of tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate?
The InChIKey is SWYBOKHZLYJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-10(8-14(9)5)13-7-11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate?
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate is sourced from PubChem (CID 81467364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).