(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide

C14H27N3O3 — CID 120796944

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CC[C@H](CN)O1)N1CCOCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,17-5-7-19-8-6-17)10-16-13(18)12-4-3-11(9-15)20-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyBFBGOFDAWSNFRH-NEPJUHHUSA-N
MW285.39 g/mol
LogP-0.28
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide (PubChem CID 120796944) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
PubChem CID120796944
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CC[C@H](CN)O1)N1CCOCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,17-5-7-19-8-6-17)10-16-13(18)12-4-3-11(9-15)20-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyBFBGOFDAWSNFRH-NEPJUHHUSA-N
XLogP-0.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
CID 120794872
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide
CID 114169312
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835014
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830190
(2S,5R)-N-(2-methyl-2-pyrazol-1-ylpropyl)-5-(morpholin-4-ylmethyl)oxolane-2-carboxamide
CID 136586635
N-(2-methyl-2-morpholin-4-ylpropyl)adamantane-2-carboxamide
CID 51251027
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120801274
(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795511

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide (CID 120796944) is (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide is CC(C)(CNC(=O)[C@@H]1CC[C@H](CN)O1)N1CCOCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide?
The InChIKey is BFBGOFDAWSNFRH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,17-5-7-19-8-6-17)10-16-13(18)12-4-3-11(9-15)20-12/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 120796944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).