2-[ethyl(2-methylprop-2-enyl)amino]acetic acid

C8H15NO2 — CID 60712574

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
SMILESC=C(C)CN(CC)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-4-9(5-7(2)3)6-8(10)11/h2,4-6H2,1,3H3,(H,10,11)
InChIKeyFBYNIZKKJJKZEW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.97
Rot. Bonds5

About 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid

2-[ethyl(2-methylprop-2-enyl)amino]acetic acid (PubChem CID 60712574) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
PubChem CID60712574
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
SMILESC=C(C)CN(CC)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-4-9(5-7(2)3)6-8(10)11/h2,4-6H2,1,3H3,(H,10,11)
InChIKeyFBYNIZKKJJKZEW-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721
3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
2-[carboxymethyl(ethyl)amino]acetic acid;N-methylpropan-1-amine
CID 142211328
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid (CID 60712574) is 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid is C=C(C)CN(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid?
The InChIKey is FBYNIZKKJJKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9(5-7(2)3)6-8(10)11/h2,4-6H2,1,3H3,(H,10,11).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid?
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]acetic acid is sourced from PubChem (CID 60712574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).