tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate

C22H34N4O4 — CID 100680867

IUPACtert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H]([C@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1
InChIInChI=1S/C22H34N4O4/c1-22(2,3)30-21(27)26-10-13-29-18(15-26)20(16-4-5-16)24-19-7-6-17(14-23-19)25-8-11-28-12-9-25/h6-7,14,16,18,20H,4-5,8-13,15H2,1-3H3,(H,23,24)/t18-,20+/m0/s1
InChIKeyOAAZPEJPUFQNAN-AZUAARDMSA-N
MW418.54 g/mol
LogP2.74
Rot. Bonds5

About tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 100680867) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate
PubChem CID100680867
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Nametert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H]([C@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1
InChIInChI=1S/C22H34N4O4/c1-22(2,3)30-21(27)26-10-13-29-18(15-26)20(16-4-5-16)24-19-7-6-17(14-23-19)25-8-11-28-12-9-25/h6-7,14,16,18,20H,4-5,8-13,15H2,1-3H3,(H,23,24)/t18-,20+/m0/s1
InChIKeyOAAZPEJPUFQNAN-AZUAARDMSA-N
XLogP2.74
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[(R)-[[3-(cyclopentylamino)-3-oxopropyl]amino]-cyclopropylmethyl]morpholine-4-carboxylate
CID 100680463
tert-butyl 2-[[[3-(benzylamino)-3-oxopropyl]amino]-cyclopropylmethyl]morpholine-4-carboxylate
CID 102562045
tert-butyl (2R)-2-[(S)-[[3-(benzylamino)-3-oxopropyl]amino]-cyclopropylmethyl]morpholine-4-carboxylate
CID 99788154
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl (3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176740
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 75448497
N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine
CID 146141191
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate (CID 100680867) is tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H]([C@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1.
What is the InChIKey of tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is OAAZPEJPUFQNAN-AZUAARDMSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-22(2,3)30-21(27)26-10-13-29-18(15-26)20(16-4-5-16)24-19-7-6-17(14-23-19)25-8-11-28-12-9-25/h6-7,14,16,18,20H,4-5,8-13,15H2,1-3H3,(H,23,24)/t18-,20+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 418.54 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(R)-cyclopropyl-[(5-morpholin-4-yl-2-pyridinyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 100680867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).