(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile

C13H21N3O — CID 10243173

IUPAC(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1
InChIInChI=1S/C13H21N3O/c1-10-6-7-12(8-14)16(10)13(17)9-15-11-4-2-3-5-11/h10-12,15H,2-7,9H2,1H3/t10-,12-/m0/s1
InChIKeyGSVYWUKPDSZURO-JQWIXIFHSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds3

About (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile

(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile (PubChem CID 10243173) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile
PubChem CID10243173
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile
SMILESC[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1
InChIInChI=1S/C13H21N3O/c1-10-6-7-12(8-14)16(10)13(17)9-15-11-4-2-3-5-11/h10-12,15H,2-7,9H2,1H3/t10-,12-/m0/s1
InChIKeyGSVYWUKPDSZURO-JQWIXIFHSA-N
XLogP1.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile?
The IUPAC name of (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile (CID 10243173) is (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile is C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1.
What is the InChIKey of (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile?
The InChIKey is GSVYWUKPDSZURO-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-7-12(8-14)16(10)13(17)9-15-11-4-2-3-5-11/h10-12,15H,2-7,9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile?
(2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile has a molecular weight of 235.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-[2-(cyclopentylamino)acetyl]-5-methylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 10243173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).