(2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide

C14H24N2O2 — CID 138037746

IUPAC(2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide
SMILESCC1(CC(=O)N2CCC[C@H]2C(N)=O)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-14(7-3-2-4-8-14)10-12(17)16-9-5-6-11(16)13(15)18/h11H,2-10H2,1H3,(H2,15,18)/t11-/m0/s1
InChIKeyBPJVHURHKWLQMG-NSHDSACASA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds3

About (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 138037746) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide
PubChem CID138037746
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide
SMILESCC1(CC(=O)N2CCC[C@H]2C(N)=O)CCCCC1
InChIInChI=1S/C14H24N2O2/c1-14(7-3-2-4-8-14)10-12(17)16-9-5-6-11(16)13(15)18/h11H,2-10H2,1H3,(H2,15,18)/t11-/m0/s1
InChIKeyBPJVHURHKWLQMG-NSHDSACASA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide (CID 138037746) is (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide is CC1(CC(=O)N2CCC[C@H]2C(N)=O)CCCCC1.
What is the InChIKey of (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is BPJVHURHKWLQMG-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(7-3-2-4-8-14)10-12(17)16-9-5-6-11(16)13(15)18/h11H,2-10H2,1H3,(H2,15,18)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1-methylcyclohexyl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138037746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).