1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one

C11H22N2O2 — CID 119412902

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
SMILESCCCCOC(C)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-7-15-9(2)11(14)13-6-5-10(12)8-13/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1
InChIKeyPCHPJGDDZVIGCK-QVDQXJPCSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one (PubChem CID 119412902) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
PubChem CID119412902
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
SMILESCCCCOC(C)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-7-15-9(2)11(14)13-6-5-10(12)8-13/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1
InChIKeyPCHPJGDDZVIGCK-QVDQXJPCSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
CID 119376332
1-[(3S)-3-aminopyrrolidin-1-yl]-2-but-3-enoxypropan-1-one;hydrochloride
CID 119934596
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119624880
2-butoxy-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580184
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
2-butoxy-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 48675846
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-butoxypropan-1-one;hydrochloride
CID 119634107

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one (CID 119412902) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one is CCCCOC(C)C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one?
The InChIKey is PCHPJGDDZVIGCK-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-7-15-9(2)11(14)13-6-5-10(12)8-13/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one is sourced from PubChem (CID 119412902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).