tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate

C10H16ClNO4 — CID 124584355

IUPACtert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OC(=O)Cl)C1
InChIInChI=1S/C10H16ClNO4/c1-10(2,3)16-9(14)12-5-4-7(6-12)15-8(11)13/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyUWQNCBYZGMSVBE-SSDOTTSWSA-N
MW249.69 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate

tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate (PubChem CID 124584355) has the molecular formula C10H16ClNO4 and a molecular weight of 249.69 g/mol. Its IUPAC name is tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
PubChem CID124584355
Molecular FormulaC10H16ClNO4
Molecular Weight249.69 g/mol
Exact Mass249.08
IUPAC Nametert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](OC(=O)Cl)C1
InChIInChI=1S/C10H16ClNO4/c1-10(2,3)16-9(14)12-5-4-7(6-12)15-8(11)13/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyUWQNCBYZGMSVBE-SSDOTTSWSA-N
XLogP2.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 77402680
tert-butyl 4-[4-(cyclopropanecarbonyloxy)piperidine-1-carbonyl]piperazine-1-carboxylate
CID 175130527
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
tert-butyl (3S)-3-prop-2-enoyloxypiperidine-1-carboxylate
CID 163505560
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl (3R)-3-(2-hydroxy-2-methylpropoxy)pyrrolidine-1-carboxylate
CID 70848392

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate (CID 124584355) is tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)Cl)C1.
What is the InChIKey of tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate?
The InChIKey is UWQNCBYZGMSVBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16ClNO4/c1-10(2,3)16-9(14)12-5-4-7(6-12)15-8(11)13/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate?
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate has a molecular weight of 249.69 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 124584355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).