methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride

C9H21ClN2O2 — CID 90032221

IUPACmethyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNCC(N)CC(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-7(2)4-8(10)5-11-6-9(12)13-3;/h7-8,11H,4-6,10H2,1-3H3;1H
InChIKeyOSVRNZQMURBVNC-UHFFFAOYSA-N
MW224.73 g/mol
LogP0.54
Rot. Bonds6

About methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride

methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride (PubChem CID 90032221) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
PubChem CID90032221
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Namemethyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNCC(N)CC(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-7(2)4-8(10)5-11-6-9(12)13-3;/h7-8,11H,4-6,10H2,1-3H3;1H
InChIKeyOSVRNZQMURBVNC-UHFFFAOYSA-N
XLogP0.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-aminopropylamino)acetate
CID 54010376
methyl 2-(2-methylpropylamino)acetate
CID 22175789
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
methyl 2-(2-iodopropylamino)acetate
CID 163571817
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
methyl 2-(2-methylpentylamino)acetate
CID 43200780
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
ethyl N-(2-amino-4-methylpentyl)carbamate
CID 107158934

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride (CID 90032221) is methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride is COC(=O)CNCC(N)CC(C)C.Cl.
What is the InChIKey of methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride?
The InChIKey is OSVRNZQMURBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-7(2)4-8(10)5-11-6-9(12)13-3;/h7-8,11H,4-6,10H2,1-3H3;1H.
What are the key properties of methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride?
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride is sourced from PubChem (CID 90032221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).