2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide

C10H21N3O — CID 81492569

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(14)8(3)13-5-4-9(11)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyDYEUGNNLAXKMHG-GKAPJAKFSA-N
MW199.30 g/mol
LogP-0.07
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 81492569) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID81492569
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(14)8(3)13-5-4-9(11)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyDYEUGNNLAXKMHG-GKAPJAKFSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 79994470
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-(4-acetylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 55258721
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide
CID 63282373
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
2-[2-(aminomethyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 61338185

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide (CID 81492569) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CC[C@H](N)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is DYEUGNNLAXKMHG-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)12-10(14)8(3)13-5-4-9(11)6-13/h7-9H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 199.30 g/mol, XLogP of -0.07, 3 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-propan-2-ylpropanamide is sourced from PubChem (CID 81492569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).