2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid

C8H18N2O2 — CID 63652155

IUPAC2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CCN)C(C)(C)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-4-10(6-5-9)8(2,3)7(11)12/h4-6,9H2,1-3H3,(H,11,12)
InChIKeyBRFNRPUVCVPQFW-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.13
Rot. Bonds5

About 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid

2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 63652155) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID63652155
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CCN)C(C)(C)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-4-10(6-5-9)8(2,3)7(11)12/h4-6,9H2,1-3H3,(H,11,12)
InChIKeyBRFNRPUVCVPQFW-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820146
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
CID 61438417
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62822178
2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
CID 62820463
2-[3-(3,5-dimethylphenoxy)propyl-ethylamino]-2-methylpropanoic acid
CID 62821867
2-[2-(4-bromophenoxy)ethyl-ethylamino]-2-methylpropanoic acid
CID 62821363
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid (CID 63652155) is 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid is CCN(CCN)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is BRFNRPUVCVPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-10(6-5-9)8(2,3)7(11)12/h4-6,9H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid?
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 63652155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).