(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid

C11H19NO5 — CID 178113941

IUPAC(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-5-4-6-16-8(7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChIKeyAPFIEWWBTKVQGC-JGVFFNPUSA-N
MW245.27 g/mol
LogP1.14
Rot. Bonds2

About (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid

(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid (PubChem CID 178113941) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
PubChem CID178113941
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-5-4-6-16-8(7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChIKeyAPFIEWWBTKVQGC-JGVFFNPUSA-N
XLogP1.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
CID 175446818
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate
CID 56654297
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate
CID 165467477
methyl (2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carboxylate
CID 56653610
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid (CID 178113941) is (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid?
The InChIKey is APFIEWWBTKVQGC-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-5-4-6-16-8(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,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid?
(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid is sourced from PubChem (CID 178113941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).