tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C14H25N3O6 — CID 11695642

IUPACtert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC[C@@H](CO)NC(=O)NC[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O6/c1-5-9(7-18)16-12(20)15-6-10-11(19)22-8-17(10)13(21)23-14(2,3)4/h9-10,18H,5-8H2,1-4H3,(H2,15,16,20)/t9-,10-/m0/s1
InChIKeyCJJCUCHAXWTTNS-UWVGGRQHSA-N
MW331.37 g/mol
LogP0.18
Rot. Bonds5

About tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11695642) has the molecular formula C14H25N3O6 and a molecular weight of 331.37 g/mol. Its IUPAC name is tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID11695642
Molecular FormulaC14H25N3O6
Molecular Weight331.37 g/mol
Exact Mass331.17
IUPAC Nametert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC[C@@H](CO)NC(=O)NC[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O6/c1-5-9(7-18)16-12(20)15-6-10-11(19)22-8-17(10)13(21)23-14(2,3)4/h9-10,18H,5-8H2,1-4H3,(H2,15,16,20)/t9-,10-/m0/s1
InChIKeyCJJCUCHAXWTTNS-UWVGGRQHSA-N
XLogP0.18
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 13053976
1,4-Di-tert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
CID 122155788
2-[(t-Butoxycarbonyl)amino]-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
CID 171919159
tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 135036918
tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 135037030
1,1-Dimethylethyl 1-methyl-2-oxo-4-imidazolidinecarboxylate
CID 13053975
3-Ethoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
CID 53984391
Tert-butyl 3-hydroxy-4-[(2-methoxy-2-oxoethyl)amino]pyrrolidine-1-carboxylate
CID 57108270
1,1-Dimethylethyl 3-methyl-2-oxo-4-imidazolidinecarboxylate
CID 67103564
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-4-carboxylic acid
CID 67130111
Imidazolidine-1,5-dicarboxylic acid 1-tert-butyl ester 5-methyl ester
CID 67224193
1-O-tert-butyl 5-O-methyl (5S)-imidazolidine-1,5-dicarboxylate
CID 68318719

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 11695642) is tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CC[C@@H](CO)NC(=O)NC[C@H]1C(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is CJJCUCHAXWTTNS-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H25N3O6/c1-5-9(7-18)16-12(20)15-6-10-11(19)22-8-17(10)13(21)23-14(2,3)4/h9-10,18H,5-8H2,1-4H3,(H2,15,16,20)/t9-,10-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11695642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).