(3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide

C15H26N2O2 — CID 70886596

IUPAC(3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCC[C@H](C)CC(=O)N[C@@H](CC1CC=CCC1)C(N)=O
InChIInChI=1S/C15H26N2O2/c1-3-11(2)9-14(18)17-13(15(16)19)10-12-7-5-4-6-8-12/h4-5,11-13H,3,6-10H2,1-2H3,(H2,16,19)(H,17,18)/t11-,12?,13-/m0/s1
InChIKeyZLRQGWUMOYSYNI-RXTYADHFSA-N
MW266.38 g/mol
LogP2.14
Rot. Bonds7

About (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide

(3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide (PubChem CID 70886596) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide
PubChem CID70886596
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide
SMILESCC[C@H](C)CC(=O)N[C@@H](CC1CC=CCC1)C(N)=O
InChIInChI=1S/C15H26N2O2/c1-3-11(2)9-14(18)17-13(15(16)19)10-12-7-5-4-6-8-12/h4-5,11-13H,3,6-10H2,1-2H3,(H2,16,19)(H,17,18)/t11-,12?,13-/m0/s1
InChIKeyZLRQGWUMOYSYNI-RXTYADHFSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide?
The IUPAC name of (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide (CID 70886596) is (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide.
What is the SMILES notation for (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide?
The canonical SMILES for (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide is CC[C@H](C)CC(=O)N[C@@H](CC1CC=CCC1)C(N)=O.
What is the InChIKey of (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide?
The InChIKey is ZLRQGWUMOYSYNI-RXTYADHFSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11(2)9-14(18)17-13(15(16)19)10-12-7-5-4-6-8-12/h4-5,11-13H,3,6-10H2,1-2H3,(H2,16,19)(H,17,18)/t11-,12?,13-/m0/s1.
What are the key properties of (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide?
(3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide has a molecular weight of 266.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-1-amino-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 70886596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).