tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate

C13H26N2O2 — CID 81462946

IUPACtert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
SMILESCC(C)N1CCC(NCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-7-6-11(9-15)14-8-12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyKQSYJCPGFAVBLO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds4

About tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate

tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate (PubChem CID 81462946) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
PubChem CID81462946
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
SMILESCC(C)N1CCC(NCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-7-6-11(9-15)14-8-12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyKQSYJCPGFAVBLO-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
CID 121230383
tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate
CID 103748342
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
CID 112698333
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl 3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104530945
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
CID 81467364
tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103783956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate (CID 81462946) is tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate is CC(C)N1CCC(NCC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate?
The InChIKey is KQSYJCPGFAVBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15-7-6-11(9-15)14-8-12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate?
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate is sourced from PubChem (CID 81462946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).