3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid

C11H20N2O4 — CID 62826842

IUPAC3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)C(C)NC(C)=O
InChIInChI=1S/C11H20N2O4/c1-5-13(6-7(2)11(16)17)10(15)8(3)12-9(4)14/h7-8H,5-6H2,1-4H3,(H,12,14)(H,16,17)
InChIKeyPJHNQYUWVCBVTL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.08
Rot. Bonds6

About 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid

3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 62826842) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID62826842
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)C(C)NC(C)=O
InChIInChI=1S/C11H20N2O4/c1-5-13(6-7(2)11(16)17)10(15)8(3)12-9(4)14/h7-8H,5-6H2,1-4H3,(H,12,14)(H,16,17)
InChIKeyPJHNQYUWVCBVTL-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60670670
2-acetamido-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79382095
3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
CID 79012580
3-[[2-(carbamoylamino)-4-methylpentanoyl]-ethylamino]-2-methylpropanoic acid
CID 62825790
ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
CID 54900981
3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103869271
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 113408715
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
3-[ethyl-[2-(propan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62853903
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid (CID 62826842) is 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)C(C)NC(C)=O.
What is the InChIKey of 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is PJHNQYUWVCBVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-5-13(6-7(2)11(16)17)10(15)8(3)12-9(4)14/h7-8H,5-6H2,1-4H3,(H,12,14)(H,16,17).
What are the key properties of 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid?
3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62826842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).