(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid

C12H21NO5 — CID 11673328

IUPAC(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H21NO5/c1-7(13-11(16)18-12(2,3)4)8-5-6-9(17-8)10(14)15/h7-9H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8+,9+/m0/s1
InChIKeyOESPOHHPFMGZPY-DJLDLDEBSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds3

About (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid

(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid (PubChem CID 11673328) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid
PubChem CID11673328
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H21NO5/c1-7(13-11(16)18-12(2,3)4)8-5-6-9(17-8)10(14)15/h7-9H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8+,9+/m0/s1
InChIKeyOESPOHHPFMGZPY-DJLDLDEBSA-N
XLogP1.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]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

(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid
CID 10523885
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
CID 57465844
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958
tert-butyl N-[[(1S)-1-cyclohexylethyl]carbamoyl]carbamate
CID 142180276
(2S,3S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 130332365
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
[4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl] methanesulfonate
CID 59414569

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid (CID 11673328) is (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid is C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid?
The InChIKey is OESPOHHPFMGZPY-DJLDLDEBSA-N. The full InChI is InChI=1S/C12H21NO5/c1-7(13-11(16)18-12(2,3)4)8-5-6-9(17-8)10(14)15/h7-9H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t7-,8+,9+/m0/s1.
What are the key properties of (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid?
(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 11673328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).