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

C11H27NO2 — CID 143677754

IUPACethane;2-[ethyl(propyl)amino]acetic acid
SMILESCC.CC.CCCN(CC)CC(=O)O
InChIInChI=1S/C7H15NO2.2C2H6/c1-3-5-8(4-2)6-7(9)10;2*1-2/h3-6H2,1-2H3,(H,9,10);2*1-2H3
InChIKeyCEMCVCJPMGTNFU-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.86
Rot. Bonds5

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

ethane;2-[ethyl(propyl)amino]acetic acid (PubChem CID 143677754) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;2-[ethyl(propyl)amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[ethyl(propyl)amino]acetic acid
PubChem CID143677754
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;2-[ethyl(propyl)amino]acetic acid
SMILESCC.CC.CCCN(CC)CC(=O)O
InChIInChI=1S/C7H15NO2.2C2H6/c1-3-5-8(4-2)6-7(9)10;2*1-2/h3-6H2,1-2H3,(H,9,10);2*1-2H3
InChIKeyCEMCVCJPMGTNFU-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[propyl(undecyl)amino]acetic acid
CID 146831092
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
CID 162681486
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-methylidenebutyl(propyl)amino]acetic acid
CID 66046219
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one
CID 43795355

Frequently Asked Questions

What is the IUPAC name of ethane;2-[ethyl(propyl)amino]acetic acid?
The IUPAC name of ethane;2-[ethyl(propyl)amino]acetic acid (CID 143677754) is ethane;2-[ethyl(propyl)amino]acetic acid.
What is the SMILES notation for ethane;2-[ethyl(propyl)amino]acetic acid?
The canonical SMILES for ethane;2-[ethyl(propyl)amino]acetic acid is CC.CC.CCCN(CC)CC(=O)O.
What is the InChIKey of ethane;2-[ethyl(propyl)amino]acetic acid?
The InChIKey is CEMCVCJPMGTNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.2C2H6/c1-3-5-8(4-2)6-7(9)10;2*1-2/h3-6H2,1-2H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;2-[ethyl(propyl)amino]acetic acid?
ethane;2-[ethyl(propyl)amino]acetic acid has a molecular weight of 205.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl(propyl)amino]acetic acid is sourced from PubChem (CID 143677754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).