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

C13H21N3O — CID 23646140

IUPAC(2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C13H21N3O/c1-9-6-7-11(8-14)16(9)13(17)12(15)10-4-2-3-5-10/h9-12H,2-7,15H2,1H3/t9-,11-,12-/m0/s1
InChIKeyMRERLGSGIBCVRW-DLOVCJGASA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds2

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

(2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile (PubChem CID 23646140) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile
PubChem CID23646140
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C13H21N3O/c1-9-6-7-11(8-14)16(9)13(17)12(15)10-4-2-3-5-10/h9-12H,2-7,15H2,1H3/t9-,11-,12-/m0/s1
InChIKeyMRERLGSGIBCVRW-DLOVCJGASA-N
XLogP1.41
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
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
(2S)-1-{[(2S,5R)-5-(propan-2-yl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11602713
C5-substituted pyrrolidine 16
CID 11776638
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
(2S,4S)-1-((2S,3S)-2-amino-3-methylpentanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 9859384
(2S,4S)-1-[(2S,3R)-2-amino-3-methylpentanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 12069363
(1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; 2,2,2-trifluoroacetic acid
CID 11406220

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile (CID 23646140) is (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile is C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile?
The InChIKey is MRERLGSGIBCVRW-DLOVCJGASA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-6-7-11(8-14)16(9)13(17)12(15)10-4-2-3-5-10/h9-12H,2-7,15H2,1H3/t9-,11-,12-/m0/s1.
What are the key properties of (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile?
(2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile has a molecular weight of 235.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-methylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 23646140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).