2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide

C11H23N3O — CID 81492736

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C11H23N3O/c1-3-10(4-2)13-11(15)8-14-6-5-9(12)7-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyQBFDJHYVZGMUNB-VIFPVBQESA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds5

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 81492736) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
PubChem CID81492736
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C11H23N3O/c1-3-10(4-2)13-11(15)8-14-6-5-9(12)7-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyQBFDJHYVZGMUNB-VIFPVBQESA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 61486865
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
2-(4-acetylpiperidin-1-yl)-N-pentan-3-ylacetamide
CID 63846330
methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 115301996
2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
CID 112707932
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide (CID 81492736) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CC[C@H](N)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is QBFDJHYVZGMUNB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(4-2)13-11(15)8-14-6-5-9(12)7-14/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 5 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-pentan-3-ylacetamide is sourced from PubChem (CID 81492736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).