5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid

C13H24N2O4 — CID 103262784

IUPAC5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)O1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-8(11(16)15-13(2,3)4)14-7-9-5-6-10(19-9)12(17)18/h8-10,14H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyMVLSFHFRWVPEOA-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.51
Rot. Bonds5

About 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid

5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103262784) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID103262784
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)O1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-8(11(16)15-13(2,3)4)14-7-9-5-6-10(19-9)12(17)18/h8-10,14H,5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyMVLSFHFRWVPEOA-UHFFFAOYSA-N
XLogP0.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic 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

5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
(2R,5S)-5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945642
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688909
5-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
5-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113457975
N-tert-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54905939

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid (CID 103262784) is 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid is CC(NCC1CCC(C(=O)O)O1)C(=O)NC(C)(C)C.
What is the InChIKey of 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is MVLSFHFRWVPEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(11(16)15-13(2,3)4)14-7-9-5-6-10(19-9)12(17)18/h8-10,14H,5-7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103262784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).