(2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile

C10H14FN3O — CID 44560171

IUPAC(2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1C[C@H](F)CN1C(=O)CNC1CC1
InChIInChI=1S/C10H14FN3O/c11-7-3-9(4-12)14(6-7)10(15)5-13-8-1-2-8/h7-9,13H,1-3,5-6H2/t7-,9-/m0/s1
InChIKeyORCQSEMHRVTHGI-CBAPKCEASA-N
MW211.24 g/mol
LogP0.20
Rot. Bonds3

About (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile

(2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile (PubChem CID 44560171) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile
PubChem CID44560171
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1C[C@H](F)CN1C(=O)CNC1CC1
InChIInChI=1S/C10H14FN3O/c11-7-3-9(4-12)14(6-7)10(15)5-13-8-1-2-8/h7-9,13H,1-3,5-6H2/t7-,9-/m0/s1
InChIKeyORCQSEMHRVTHGI-CBAPKCEASA-N
XLogP0.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonitrile
CID 10932707
(2S)-1-[2-(cyclopentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 11117606
1-(2-Cyclohexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 9795464
1-(2-Cyclobutylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10375745
1-(2-Cyclopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10420127
1-(2-Propylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 10943400
1-(2-Pentylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11053284
1-(2-Hexylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11075465
1-(2-Ethylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11084500
1-(2-Butylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11085063
1-[2-(1-Ethyl-propylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 11127914
1-(2-Isopropylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11138020

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile (CID 44560171) is (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile is N#C[C@@H]1C[C@H](F)CN1C(=O)CNC1CC1.
What is the InChIKey of (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
The InChIKey is ORCQSEMHRVTHGI-CBAPKCEASA-N. The full InChI is InChI=1S/C10H14FN3O/c11-7-3-9(4-12)14(6-7)10(15)5-13-8-1-2-8/h7-9,13H,1-3,5-6H2/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile?
(2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile has a molecular weight of 211.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(cyclopropylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile is sourced from PubChem (CID 44560171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).