(2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile

C19H31N3O — CID 10860092

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H31N3O/c20-14-17-12-7-13-22(17)19(23)18(15-8-3-1-4-9-15)21-16-10-5-2-6-11-16/h15-18,21H,1-13H2/t17-,18-/m0/s1
InChIKeyAKYYKUMHHVQQLE-ROUUACIJSA-N
MW317.48 g/mol
LogP3.37
Rot. Bonds4

About (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10860092) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID10860092
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H31N3O/c20-14-17-12-7-13-22(17)19(23)18(15-8-3-1-4-9-15)21-16-10-5-2-6-11-16/h15-18,21H,1-13H2/t17-,18-/m0/s1
InChIKeyAKYYKUMHHVQQLE-ROUUACIJSA-N
XLogP3.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile (CID 10860092) is (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H](NC1CCCCC1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is AKYYKUMHHVQQLE-ROUUACIJSA-N. The full InChI is InChI=1S/C19H31N3O/c20-14-17-12-7-13-22(17)19(23)18(15-8-3-1-4-9-15)21-16-10-5-2-6-11-16/h15-18,21H,1-13H2/t17-,18-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 317.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-(cyclohexylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10860092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).