tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H26N2O7 — CID 10893362

IUPACtert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O7/c1-14(2,3)24-13(21)17-10(8-23-15(17,4)5)11(19)16-9(7-18)12(20)22-6/h9-10,18H,7-8H2,1-6H3,(H,16,19)/t9-,10-/m0/s1
InChIKeyZYKSNPZJMSNXDV-UWVGGRQHSA-N
MW346.38 g/mol
LogP0.01
Rot. Bonds4

About tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10893362) has the molecular formula C15H26N2O7 and a molecular weight of 346.38 g/mol. Its IUPAC name is tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10893362
Molecular FormulaC15H26N2O7
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC Nametert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](CO)NC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O7/c1-14(2,3)24-13(21)17-10(8-23-15(17,4)5)11(19)16-9(7-18)12(20)22-6/h9-10,18H,7-8H2,1-6H3,(H,16,19)/t9-,10-/m0/s1
InChIKeyZYKSNPZJMSNXDV-UWVGGRQHSA-N
XLogP0.01
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10893362) is tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@H](CO)NC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZYKSNPZJMSNXDV-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H26N2O7/c1-14(2,3)24-13(21)17-10(8-23-15(17,4)5)11(19)16-9(7-18)12(20)22-6/h9-10,18H,7-8H2,1-6H3,(H,16,19)/t9-,10-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10893362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).