methyl 4-amino-6-methylheptanoate;hydrochloride

C9H20ClNO2 — CID 87306139

IUPACmethyl 4-amino-6-methylheptanoate;hydrochloride
SMILESCOC(=O)CCC(N)CC(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-7(2)6-8(10)4-5-9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyGIKQXBLQFZNVMX-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.73
Rot. Bonds5

About methyl 4-amino-6-methylheptanoate;hydrochloride

methyl 4-amino-6-methylheptanoate;hydrochloride (PubChem CID 87306139) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is methyl 4-amino-6-methylheptanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-6-methylheptanoate;hydrochloride
PubChem CID87306139
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-amino-6-methylheptanoate;hydrochloride
SMILESCOC(=O)CCC(N)CC(C)C.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-7(2)6-8(10)4-5-9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyGIKQXBLQFZNVMX-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4S)-4-aminohexanoate
CID 130019319
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
methyl 4-amino-5-formyloxypentanoate
CID 58299455
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221
methyl 6-methyl-4-(methylamino)heptanoate
CID 116955487
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-amino-4-bromobutanoate
CID 175158187
methyl 4-amino-5,5-difluoropentanoate;hydrochloride
CID 105455860
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
(1-amino-4-methoxy-4-oxobutyl)boronic acid
CID 18509192

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methylheptanoate;hydrochloride?
The IUPAC name of methyl 4-amino-6-methylheptanoate;hydrochloride (CID 87306139) is methyl 4-amino-6-methylheptanoate;hydrochloride.
What is the SMILES notation for methyl 4-amino-6-methylheptanoate;hydrochloride?
The canonical SMILES for methyl 4-amino-6-methylheptanoate;hydrochloride is COC(=O)CCC(N)CC(C)C.Cl.
What is the InChIKey of methyl 4-amino-6-methylheptanoate;hydrochloride?
The InChIKey is GIKQXBLQFZNVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-7(2)6-8(10)4-5-9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of methyl 4-amino-6-methylheptanoate;hydrochloride?
methyl 4-amino-6-methylheptanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methylheptanoate;hydrochloride is sourced from PubChem (CID 87306139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).