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

C9H18N2O2 — CID 103021611

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,13-3)8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKeyRWUSVUMCNKPIFF-SSDOTTSWSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

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

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 103021611) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID103021611
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,13-3)8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKeyRWUSVUMCNKPIFF-SSDOTTSWSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103900310
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
1-(2-methoxy-2-methylpropanoyl)piperidine-3-sulfonamide
CID 103710680
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103022562
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
tert-butyl N-[2-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]ethyl]carbamate
CID 119051444
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 103021611) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is RWUSVUMCNKPIFF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,13-3)8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 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-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103021611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).