(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one

C13H24N2O — CID 10656779

IUPAC(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](CC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h11-12H,1-10,14H2/t12-/m0/s1
InChIKeyMGRBWAQKODFLLG-LBPRGKRZSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 10656779) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID10656779
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](CC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h11-12H,1-10,14H2/t12-/m0/s1
InChIKeyMGRBWAQKODFLLG-LBPRGKRZSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one (CID 10656779) is (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](CC1CCCCC1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MGRBWAQKODFLLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h11-12H,1-10,14H2/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10656779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).