1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

C12H22N2O3 — CID 119411763

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCO1)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C12H22N2O3/c1-9(17-8-11-3-2-6-16-11)12(15)14-5-4-10(13)7-14/h9-11H,2-8,13H2,1H3/t9?,10-,11?/m1/s1
InChIKeyIVQLYNAGERYPCL-HSOILSAZSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds4

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one (PubChem CID 119411763) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
PubChem CID119411763
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCO1)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C12H22N2O3/c1-9(17-8-11-3-2-6-16-11)12(15)14-5-4-10(13)7-14/h9-11H,2-8,13H2,1H3/t9?,10-,11?/m1/s1
InChIKeyIVQLYNAGERYPCL-HSOILSAZSA-N
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
3-methyl-1-[2-(oxolan-2-ylmethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 119257371
1-[3-[bis(2-methoxyethyl)amino]azetidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 126834324
(2S)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 129461447
1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
CID 119412902
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one
CID 120746267
(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 129470132
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125150368

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one (CID 119411763) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one is CC(OCC1CCCO1)C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
The InChIKey is IVQLYNAGERYPCL-HSOILSAZSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(17-8-11-3-2-6-16-11)12(15)14-5-4-10(13)7-14/h9-11H,2-8,13H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one has a molecular weight of 242.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 119411763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).