tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate

C19H28N2O3 — CID 70810940

IUPACtert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CN[C@H]2CC2c2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(22)21-9-10-23-15(13-21)12-20-17-11-16(17)14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15?,16?,17-/m0/s1
InChIKeyLDRNXLZYQJPDRB-JCYILVPMSA-N
MW332.44 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate

tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate (PubChem CID 70810940) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate
PubChem CID70810940
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CN[C@H]2CC2c2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(22)21-9-10-23-15(13-21)12-20-17-11-16(17)14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15?,16?,17-/m0/s1
InChIKeyLDRNXLZYQJPDRB-JCYILVPMSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
tert-butyl (7S)-7-(aminomethyl)-6-phenyl-1,4-oxazepane-4-carboxylate
CID 67123288
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533
tert-butyl (2S)-2-(benzylsulfonylmethyl)morpholine-4-carboxylate
CID 141474930
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 90966020
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 2-[[[3-(benzylcarbamoyl)-6-chloropyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 164598959

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate (CID 70810940) is tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CN[C@H]2CC2c2ccccc2)C1.
What is the InChIKey of tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate?
The InChIKey is LDRNXLZYQJPDRB-JCYILVPMSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(22)21-9-10-23-15(13-21)12-20-17-11-16(17)14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15?,16?,17-/m0/s1.
What are the key properties of tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate?
tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 70810940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).