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

C11H19NO5 — CID 96837502

IUPAC(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChIKeyLCUKHUMNWGIQJL-JGVFFNPUSA-N
MW245.27 g/mol
LogP1.14
Rot. Bonds3

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

(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 96837502) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
PubChem CID96837502
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChIKeyLCUKHUMNWGIQJL-JGVFFNPUSA-N
XLogP1.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
tert-butyl N-[[(2R,5R)-5-(dihydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 167111332
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
lithium (2R,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-2-carboxylate
CID 155858694
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid
CID 11673328
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid (CID 96837502) is (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid is CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is LCUKHUMNWGIQJL-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 96837502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).