2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide

C12H25N3O — CID 81491532

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC[C@H](N)C1)C(C)C
InChIInChI=1S/C12H25N3O/c1-9(2)15(10(3)4)12(16)8-14-6-5-11(13)7-14/h9-11H,5-8,13H2,1-4H3/t11-/m0/s1
InChIKeyASZFHEQWJLSOQL-NSHDSACASA-N
MW227.35 g/mol
LogP0.66
Rot. Bonds4

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 81491532) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID81491532
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC[C@H](N)C1)C(C)C
InChIInChI=1S/C12H25N3O/c1-9(2)15(10(3)4)12(16)8-14-6-5-11(13)7-14/h9-11H,5-8,13H2,1-4H3/t11-/m0/s1
InChIKeyASZFHEQWJLSOQL-NSHDSACASA-N
XLogP0.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
2-(4-aminopiperidin-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 79333087
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 81491532) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CC[C@H](N)C1)C(C)C.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is ASZFHEQWJLSOQL-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)15(10(3)4)12(16)8-14-6-5-11(13)7-14/h9-11H,5-8,13H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.66, 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-di(propan-2-yl)acetamide is sourced from PubChem (CID 81491532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).