2-[methyl(propyl)amino]acetic acid;hydrochloride

C6H14ClNO2 — CID 50988218

IUPAC2-[methyl(propyl)amino]acetic acid;hydrochloride
SMILESCCCN(C)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-4-7(2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKeyQDCSYJDKAYVCDP-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.83
Rot. Bonds4

About 2-[methyl(propyl)amino]acetic acid;hydrochloride

2-[methyl(propyl)amino]acetic acid;hydrochloride (PubChem CID 50988218) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl(propyl)amino]acetic acid;hydrochloride
PubChem CID50988218
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name2-[methyl(propyl)amino]acetic acid;hydrochloride
SMILESCCCN(C)CC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-4-7(2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKeyQDCSYJDKAYVCDP-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;pentan-1-amine
CID 175371891
2-[hexyl(methyl)amino]acetic acid
CID 10197909
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid
CID 142749103
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[methyl(propyl)amino]acetic acid;hydrochloride (CID 50988218) is 2-[methyl(propyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[methyl(propyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[methyl(propyl)amino]acetic acid;hydrochloride is CCCN(C)CC(=O)O.Cl.
What is the InChIKey of 2-[methyl(propyl)amino]acetic acid;hydrochloride?
The InChIKey is QDCSYJDKAYVCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-4-7(2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H.
What are the key properties of 2-[methyl(propyl)amino]acetic acid;hydrochloride?
2-[methyl(propyl)amino]acetic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 50988218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).