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

C8H19NO2 — CID 153373363

IUPACethane;2-[methyl(propyl)amino]acetic acid
SMILESCC.CCCN(C)CC(=O)O
InChIInChI=1S/C6H13NO2.C2H6/c1-3-4-7(2)5-6(8)9;1-2/h3-5H2,1-2H3,(H,8,9);1-2H3
InChIKeyOWZIFQPEFFMBMB-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.44
Rot. Bonds4

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

ethane;2-[methyl(propyl)amino]acetic acid (PubChem CID 153373363) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;2-[methyl(propyl)amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[methyl(propyl)amino]acetic acid
PubChem CID153373363
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;2-[methyl(propyl)amino]acetic acid
SMILESCC.CCCN(C)CC(=O)O
InChIInChI=1S/C6H13NO2.C2H6/c1-3-4-7(2)5-6(8)9;1-2/h3-5H2,1-2H3,(H,8,9);1-2H3
InChIKeyOWZIFQPEFFMBMB-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
2-[methyl(propyl)amino]acetic acid;pentan-1-amine
CID 175371891
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
2-[hexyl(methyl)amino]acetic acid
CID 10197909
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl(propyl)amino]acetic acid?
The IUPAC name of ethane;2-[methyl(propyl)amino]acetic acid (CID 153373363) is ethane;2-[methyl(propyl)amino]acetic acid.
What is the SMILES notation for ethane;2-[methyl(propyl)amino]acetic acid?
The canonical SMILES for ethane;2-[methyl(propyl)amino]acetic acid is CC.CCCN(C)CC(=O)O.
What is the InChIKey of ethane;2-[methyl(propyl)amino]acetic acid?
The InChIKey is OWZIFQPEFFMBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-3-4-7(2)5-6(8)9;1-2/h3-5H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-[methyl(propyl)amino]acetic acid?
ethane;2-[methyl(propyl)amino]acetic acid has a molecular weight of 161.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl(propyl)amino]acetic acid is sourced from PubChem (CID 153373363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).