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

C11H20N2O3 — CID 83195288

IUPAC(2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CN[C@H](C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(7-8(2)3)10(14)6-12-9(4)11(15)16/h9,12H,2,5-7H2,1,3-4H3,(H,15,16)/t9-/m1/s1
InChIKeyPWNKXARQRJPHLX-SECBINFHSA-N
MW228.29 g/mol
LogP0.47
Rot. Bonds7

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

(2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 83195288) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID83195288
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CN[C@H](C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-5-13(7-8(2)3)10(14)6-12-9(4)11(15)16/h9,12H,2,5-7H2,1,3-4H3,(H,15,16)/t9-/m1/s1
InChIKeyPWNKXARQRJPHLX-SECBINFHSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (CID 83195288) is (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is C=C(C)CN(CC)C(=O)CN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is PWNKXARQRJPHLX-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-13(7-8(2)3)10(14)6-12-9(4)11(15)16/h9,12H,2,5-7H2,1,3-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
(2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83195288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).