3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid

C9H16N2O4 — CID 107219711

IUPAC3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
SMILESCCC1(O)CN(C(=O)C(N)CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-2-9(15)4-11(5-9)8(14)6(10)3-7(12)13/h6,15H,2-5,10H2,1H3,(H,12,13)
InChIKeyDERLKRABLNPSMJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.23
Rot. Bonds4

About 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid

3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid (PubChem CID 107219711) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
PubChem CID107219711
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
SMILESCCC1(O)CN(C(=O)C(N)CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c1-2-9(15)4-11(5-9)8(14)6(10)3-7(12)13/h6,15H,2-5,10H2,1H3,(H,12,13)
InChIKeyDERLKRABLNPSMJ-UHFFFAOYSA-N
XLogP-1.23
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 114264852
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
CID 107219890
4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
CID 107219249
2-[1-(2,4-diamino-4-oxobutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658294
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
CID 107220007
(3S)-3-amino-4-(1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 165174482
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 114678426
3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 167858409
3-amino-4-oxo-4-(1,4-thiazepan-4-yl)butanoic acid
CID 64896344

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid (CID 107219711) is 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid is CCC1(O)CN(C(=O)C(N)CC(=O)O)C1.
What is the InChIKey of 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid?
The InChIKey is DERLKRABLNPSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-9(15)4-11(5-9)8(14)6(10)3-7(12)13/h6,15H,2-5,10H2,1H3,(H,12,13).
What are the key properties of 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid?
3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 107219711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).