tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate

C10H19NO3 — CID 11356127

IUPACtert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate
SMILESCCOCN1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-13-7-11-6-8(11)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNFCUCTLGTHZCBY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds4

About tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate

tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate (PubChem CID 11356127) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate
PubChem CID11356127
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate
SMILESCCOCN1CC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-13-7-11-6-8(11)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNFCUCTLGTHZCBY-UHFFFAOYSA-N
XLogP1.01
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
tert-butyl 1-[(4-chlorophenyl)methyl]aziridine-2-carboxylate
CID 167976398
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802
tert-butyl 4,5-dimethyl-1-(3-oxobutyl)piperazine-2-carboxylate
CID 174507169
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
tert-butyl 4-(hydroxymethyl)-1-pentylpyrrolidine-2-carboxylate
CID 141022494
tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
CID 80709141
ditert-butyl (2S,4S)-4-(iodomethyl)pyrrolidine-1,2-dicarboxylate
CID 18665884
ditert-butyl 4-tert-butylpyrrolidine-1,2-dicarboxylate
CID 85428396

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate?
The IUPAC name of tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate (CID 11356127) is tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate is CCOCN1CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate?
The InChIKey is NFCUCTLGTHZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-13-7-11-6-8(11)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate?
tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(ethoxymethyl)aziridine-2-carboxylate is sourced from PubChem (CID 11356127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).