methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride

C15H29ClN2O3 — CID 142646042

IUPACmethyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCC(C)C(C)NC(C)=O)CCC(N)C1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-10(11(2)17-12(3)18)5-7-15(14(19)20-4)8-6-13(16)9-15;/h10-11,13H,5-9,16H2,1-4H3,(H,17,18);1H
InChIKeyOMIKAIOPIGHCFI-UHFFFAOYSA-N
MW320.86 g/mol
LogP2.02
Rot. Bonds6

About methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride

methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride (PubChem CID 142646042) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride
PubChem CID142646042
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Namemethyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCC(C)C(C)NC(C)=O)CCC(N)C1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-10(11(2)17-12(3)18)5-7-15(14(19)20-4)8-6-13(16)9-15;/h10-11,13H,5-9,16H2,1-4H3,(H,17,18);1H
InChIKeyOMIKAIOPIGHCFI-UHFFFAOYSA-N
XLogP2.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride (CID 142646042) is methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride is COC(=O)C1(CCC(C)C(C)NC(C)=O)CCC(N)C1.Cl.
What is the InChIKey of methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride?
The InChIKey is OMIKAIOPIGHCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-10(11(2)17-12(3)18)5-7-15(14(19)20-4)8-6-13(16)9-15;/h10-11,13H,5-9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride?
methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-acetamido-3-methylpentyl)-3-aminocyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 142646042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).