2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid

C12H22N2O4 — CID 64582510

IUPAC2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCN(CC1CCCO1)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-14(7-10-5-4-6-18-10)8-11(12(16)17)13-9(2)15/h10-11H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyKYQYFZMZYPSGKK-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds7

About 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid

2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 64582510) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID64582510
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCCN(CC1CCCO1)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-14(7-10-5-4-6-18-10)8-11(12(16)17)13-9(2)15/h10-11H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyKYQYFZMZYPSGKK-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121
3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82327489
3-[butyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82328219
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61439565
1-cyclopentyl-2-[ethyl(oxolan-2-ylmethyl)amino]ethanol
CID 104752617
4-[ethyl(oxolan-2-ylmethyl)amino]-3-(methylamino)butan-1-ol
CID 64899466
2-acetamido-4-[3-(oxolan-2-yl)propylsulfanyl]butanoic acid
CID 65161333
(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830657
2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid
CID 64581122
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61438999
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid (CID 64582510) is 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid is CCN(CC1CCCO1)CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is KYQYFZMZYPSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-14(7-10-5-4-6-18-10)8-11(12(16)17)13-9(2)15/h10-11H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid?
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 64582510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).