2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid

C12H22N2O4 — CID 114115133

IUPAC2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
SMILESCC(=O)NC(CNC(C)C1CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(10-3-5-18-6-4-10)13-7-11(12(16)17)14-9(2)15/h8,10-11,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyPVZIHMXNVUQZRG-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.02
Rot. Bonds6

About 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid

2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid (PubChem CID 114115133) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
PubChem CID114115133
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
SMILESCC(=O)NC(CNC(C)C1CCOCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(10-3-5-18-6-4-10)13-7-11(12(16)17)14-9(2)15/h8,10-11,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyPVZIHMXNVUQZRG-UHFFFAOYSA-N
XLogP-0.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
CID 64583859
(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid
CID 107775513
2-[1-(oxan-4-yl)ethylcarbamoylamino]pent-4-ynoic acid
CID 114115293
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120689181
3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
CID 114189004
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid?
The IUPAC name of 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid (CID 114115133) is 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid is CC(=O)NC(CNC(C)C1CCOCC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid?
The InChIKey is PVZIHMXNVUQZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(10-3-5-18-6-4-10)13-7-11(12(16)17)14-9(2)15/h8,10-11,13H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid?
2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid is sourced from PubChem (CID 114115133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).