1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone

C7H13FN2O — CID 129494766

IUPAC1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC[C@H](F)C1
InChIInChI=1S/C7H13FN2O/c1-9-4-7(11)10-3-2-6(8)5-10/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyZWYVQXWCEIGDAW-LURJTMIESA-N
MW160.19 g/mol
LogP-0.22
Rot. Bonds2

About 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone

1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 129494766) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID129494766
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC[C@H](F)C1
InChIInChI=1S/C7H13FN2O/c1-9-4-7(11)10-3-2-6(8)5-10/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyZWYVQXWCEIGDAW-LURJTMIESA-N
XLogP-0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
CID 168941428
CID 168941428
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]acetamide
CID 178168111
1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 121200961
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 129496940
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone (CID 129494766) is 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC[C@H](F)C1.
What is the InChIKey of 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is ZWYVQXWCEIGDAW-LURJTMIESA-N. The full InChI is InChI=1S/C7H13FN2O/c1-9-4-7(11)10-3-2-6(8)5-10/h6,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 160.19 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 129494766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).