2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide

C10H21N3O — CID 115302487

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O/c1-3-13(4-2)10(14)8-12-6-5-9(11)7-12/h9H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyMGHBOAKELCYMSW-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds4

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide (PubChem CID 115302487) 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,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
PubChem CID115302487
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CC[C@H](N)C1
InChIInChI=1S/C10H21N3O/c1-3-13(4-2)10(14)8-12-6-5-9(11)7-12/h9H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyMGHBOAKELCYMSW-VIFPVBQESA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide
CID 115302442
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
2-(4-aminopiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 79327859
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81491532
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide (CID 115302487) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CC[C@H](N)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide?
The InChIKey is MGHBOAKELCYMSW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-13(4-2)10(14)8-12-6-5-9(11)7-12/h9H,3-8,11H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 115302487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).