tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate

C16H27N3O4 — CID 126827788

IUPACtert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1C[C@H]1N1CCOCC1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(21)19-5-4-12(19)14(20)17-11-10-13(11)18-6-8-22-9-7-18/h11-13H,4-10H2,1-3H3,(H,17,20)/t11-,12-,13-/m1/s1
InChIKeyUKZTYPWHRBMQIL-JHJVBQTASA-N
MW325.41 g/mol
LogP0.59
Rot. Bonds3

About tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate (PubChem CID 126827788) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate
PubChem CID126827788
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1C[C@H]1N1CCOCC1
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(21)19-5-4-12(19)14(20)17-11-10-13(11)18-6-8-22-9-7-18/h11-13H,4-10H2,1-3H3,(H,17,20)/t11-,12-,13-/m1/s1
InChIKeyUKZTYPWHRBMQIL-JHJVBQTASA-N
XLogP0.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124835778
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 67539858
1-O-tert-butyl 2-O-methyl (2R,4S)-4-acetylsulfanylpiperidine-1,2-dicarboxylate
CID 11151273
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
CID 107094474
tert-butyl (2S)-2-(hexylcarbamoyl)azetidine-1-carboxylate
CID 58606947
tert-butyl 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 141197728

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate (CID 126827788) is tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1C[C@H]1N1CCOCC1.
What is the InChIKey of tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate?
The InChIKey is UKZTYPWHRBMQIL-JHJVBQTASA-N. The full InChI is InChI=1S/C16H27N3O4/c1-16(2,3)23-15(21)19-5-4-12(19)14(20)17-11-10-13(11)18-6-8-22-9-7-18/h11-13H,4-10H2,1-3H3,(H,17,20)/t11-,12-,13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(1R,2R)-2-morpholin-4-ylcyclopropyl]carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 126827788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).