methyl 2-(hexylamino)acetate;hydrochloride

C9H20ClNO2 — CID 141426324

IUPACmethyl 2-(hexylamino)acetate;hydrochloride
SMILESCCCCCCNCC(=O)OC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-3-4-5-6-7-10-8-9(11)12-2;/h10H,3-8H2,1-2H3;1H
InChIKeyWRSZOPVPCUEEFC-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.75
Rot. Bonds7

About methyl 2-(hexylamino)acetate;hydrochloride

methyl 2-(hexylamino)acetate;hydrochloride (PubChem CID 141426324) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is methyl 2-(hexylamino)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(hexylamino)acetate;hydrochloride
PubChem CID141426324
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-(hexylamino)acetate;hydrochloride
SMILESCCCCCCNCC(=O)OC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-3-4-5-6-7-10-8-9(11)12-2;/h10H,3-8H2,1-2H3;1H
InChIKeyWRSZOPVPCUEEFC-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(decylamino)butanoate;hydrochloride
CID 71755516
butyl 2-(octylamino)acetate
CID 115567498
tert-butyl 2-(octylamino)acetate
CID 78913453
methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
methyl 2-(2-heptylundecylamino)acetate
CID 158259283
methyl heptanoate;dihydrochloride
CID 140971064
methyl nonanoate;hydrochloride
CID 141151355
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
copper(1+);2-(octylamino)acetate
CID 21278666
carbonic acid;N-hexylhexan-1-amine
CID 174995198

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hexylamino)acetate;hydrochloride?
The IUPAC name of methyl 2-(hexylamino)acetate;hydrochloride (CID 141426324) is methyl 2-(hexylamino)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(hexylamino)acetate;hydrochloride?
The canonical SMILES for methyl 2-(hexylamino)acetate;hydrochloride is CCCCCCNCC(=O)OC.Cl.
What is the InChIKey of methyl 2-(hexylamino)acetate;hydrochloride?
The InChIKey is WRSZOPVPCUEEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-3-4-5-6-7-10-8-9(11)12-2;/h10H,3-8H2,1-2H3;1H.
What are the key properties of methyl 2-(hexylamino)acetate;hydrochloride?
methyl 2-(hexylamino)acetate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hexylamino)acetate;hydrochloride is sourced from PubChem (CID 141426324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).