3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

C11H20N2O3 — CID 43466615

IUPAC3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CNCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-13(8-9(2)3)10(14)7-12-6-5-11(15)16/h12H,2,4-8H2,1,3H3,(H,15,16)
InChIKeyATUGMNBDHGEZOL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds8

About 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466615) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466615
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CNCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-13(8-9(2)3)10(14)7-12-6-5-11(15)16/h12H,2,4-8H2,1,3H3,(H,15,16)
InChIKeyATUGMNBDHGEZOL-UHFFFAOYSA-N
XLogP0.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Carboxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 12851418
3-[[2-(Dimethylamino)acetyl]amino]-2-methylpropanoic acid
CID 15009970
acetic acid;N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
CID 19969290
[1-(2-Methylprop-2-enylamino)-1-oxopropan-2-yl]carbamic acid
CID 21251987
2-Carboxyethyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 22178958
3-[[2-[2-Methylpropyl(propan-2-yl)amino]acetyl]amino]propanoic acid
CID 23588175
2-[Dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate
CID 57539285
Carboxymethyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 57539286
2-Amino-3-(2-methylprop-2-enoylamino)propanoic acid
CID 58271880
N-[3-(carboxymethyldimethylamino) propyl]methacrylamide
CID 86716462
3-[Dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate
CID 87122114
3-[[2-(2-Methylprop-2-enoylamino)acetyl]amino]-2-oxopropanoic acid
CID 87744507

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466615) is 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is C=C(C)CN(CC)C(=O)CNCCC(=O)O.
What is the InChIKey of 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is ATUGMNBDHGEZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-13(8-9(2)3)10(14)7-12-6-5-11(15)16/h12H,2,4-8H2,1,3H3,(H,15,16).
What are the key properties of 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).