(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile

C14H19N3O — CID 11776638

IUPAC(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
SMILESC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
InChIKeyWLGYZHSSENEZRE-AVGNSLFASA-N
MW245.33 g/mol
LogP1.02
Rot. Bonds2

About (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile

(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile (PubChem CID 11776638) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
PubChem CID11776638
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
SMILESC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
InChIKeyWLGYZHSSENEZRE-AVGNSLFASA-N
XLogP1.02
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyanopyrrolidine 1
CID 23645685
(2S,5R)-1-[(2S)-2-amino-4-methylpentanoyl]-5-ethynylpyrrolidine-2-carbonitrile
CID 10014222
(2S,5R)-1-[(2S)-2-amino-2-cyclohexylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
CID 10038196
C5-substituted pyrrolidine 19
CID 10106636
Chg-Pro-CN
CID 11075394
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
(2S,5S)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-methylpyrrolidine-2-carbonitrile
CID 23646140
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
CID 11840904
(1S)-2-((2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl)-1-cyclopentyl-2-oxoethanamine
CID 11840917
(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile
CID 44417385
2-Amino-2-cyclopentyl-1-pyrrolidin-1-yl-ethanone
CID 10058520
(2S,5S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
CID 44417389

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile (CID 11776638) is (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile is C#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile?
The InChIKey is WLGYZHSSENEZRE-AVGNSLFASA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1.
What are the key properties of (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile?
(2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethynylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 11776638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).