2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid

C13H23NO5 — CID 70874798

IUPAC2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)OC(C)(C)C)C(C)(C)O1
InChIInChI=1S/C13H23NO5/c1-8(10(15)16)9-7-14(13(5,6)18-9)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)
InChIKeyBUBQGVUNEZYKSP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.08
Rot. Bonds2

About 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid

2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid (PubChem CID 70874798) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
PubChem CID70874798
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)OC(C)(C)C)C(C)(C)O1
InChIInChI=1S/C13H23NO5/c1-8(10(15)16)9-7-14(13(5,6)18-9)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16)
InChIKeyBUBQGVUNEZYKSP-UHFFFAOYSA-N
XLogP2.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid with MolForge

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Related Compounds

(4S,5R)-3-[(tert-butoxy)carbonyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 10956272
2-(4-(Tert-butoxycarbonyl)morpholin-2-yl)acetic acid
CID 42614769
rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-hydroxypyrrolidine-3-carboxylic acid
CID 44607706
Ethyl trans-1-boc-4-hydroxypyrrolidine-3-carboxylate
CID 72208122
2-(4-((Tert-butoxy)carbonyl)-5,5-dimethylmorpholin-2-yl)acetic acid
CID 53406550
N-Boc-3-(pyrrolidin-3-ylmethoxy)propanoic acid
CID 84061688
2-{4-[(Tert-butoxy)carbonyl]-6,6-dimethylmorpholin-2-yl}acetic acid
CID 137971798
2-{4-[(Tert-butoxy)carbonyl]-6-methylmorpholin-2-yl}acetic acid
CID 145912870
(2S)-2-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid
CID 11265769
(4R,5S)-3-(Tert-butoxycarbonyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid
CID 95240822
2-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
CID 134916696
2-[(4R,5R)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
CID 134916698

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
The IUPAC name of 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid (CID 70874798) is 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
The canonical SMILES for 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)OC(C)(C)C)C(C)(C)O1.
What is the InChIKey of 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
The InChIKey is BUBQGVUNEZYKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8(10(15)16)9-7-14(13(5,6)18-9)11(17)19-12(2,3)4/h8-9H,7H2,1-6H3,(H,15,16).
What are the key properties of 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid?
2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]propanoic acid is sourced from PubChem (CID 70874798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).