methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate

C15H25NO3 — CID 67744097

IUPACmethyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate
SMILESCOC(=O)[C@H](CC=CCC1(C)CCCC1)NC(C)=O
InChIInChI=1S/C15H25NO3/c1-12(17)16-13(14(18)19-3)8-4-5-9-15(2)10-6-7-11-15/h4-5,13H,6-11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyQWZFTLSQCONZBT-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.58
Rot. Bonds6

About methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate

methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate (PubChem CID 67744097) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate
PubChem CID67744097
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate
SMILESCOC(=O)[C@H](CC=CCC1(C)CCCC1)NC(C)=O
InChIInChI=1S/C15H25NO3/c1-12(17)16-13(14(18)19-3)8-4-5-9-15(2)10-6-7-11-15/h4-5,13H,6-11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyQWZFTLSQCONZBT-ZDUSSCGKSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate?
The IUPAC name of methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate (CID 67744097) is methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate.
What is the SMILES notation for methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate?
The canonical SMILES for methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate is COC(=O)[C@H](CC=CCC1(C)CCCC1)NC(C)=O.
What is the InChIKey of methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate?
The InChIKey is QWZFTLSQCONZBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(17)16-13(14(18)19-3)8-4-5-9-15(2)10-6-7-11-15/h4-5,13H,6-11H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate?
methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate has a molecular weight of 267.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-acetamido-6-(1-methylcyclopentyl)hex-4-enoate is sourced from PubChem (CID 67744097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).