2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide

C10H21N3O — CID 81492142

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)12-9(14)7-13-5-4-8(11)6-13/h8H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyHEHJHMRKZPQBHC-QMMMGPOBSA-N
MW199.30 g/mol
LogP-0.07
Rot. Bonds2

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide (PubChem CID 81492142) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
PubChem CID81492142
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O/c1-10(2,3)12-9(14)7-13-5-4-8(11)6-13/h8H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyHEHJHMRKZPQBHC-QMMMGPOBSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 115918685
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
CID 129033915
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
CID 112707932
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide (CID 81492142) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CC[C@H](N)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide?
The InChIKey is HEHJHMRKZPQBHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)12-9(14)7-13-5-4-8(11)6-13/h8H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 81492142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).