2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid

C12H22N2O4 — CID 43631760

IUPAC2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-4-10(12(16)17)13-8-11(15)14-7-9-5-3-6-18-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyYEXUURQBFMKZDL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.12
Rot. Bonds8

About 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid

2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid (PubChem CID 43631760) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
PubChem CID43631760
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
SMILESCCCC(NCC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-4-10(12(16)17)13-8-11(15)14-7-9-5-3-6-18-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyYEXUURQBFMKZDL-UHFFFAOYSA-N
XLogP0.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic 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

(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
CID 112991314
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide
CID 58331756
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid (CID 43631760) is 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid is CCCC(NCC(=O)NCC1CCCO1)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid?
The InChIKey is YEXUURQBFMKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-4-10(12(16)17)13-8-11(15)14-7-9-5-3-6-18-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid?
2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 43631760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).