(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride

C14H26ClN3O4 — CID 120795511

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C14H25N3O4.ClH/c1-2-11(14(19)17-5-7-20-8-6-17)16-13(18)12-4-3-10(9-15)21-12;/h10-12H,2-9,15H2,1H3,(H,16,18);1H/t10-,11?,12+;/m1./s1
InChIKeyRMRYGNUCOXCLGL-QRVSAPIOSA-N
MW335.83 g/mol
LogP-0.33
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120795511) has the molecular formula C14H26ClN3O4 and a molecular weight of 335.83 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120795511
Molecular FormulaC14H26ClN3O4
Molecular Weight335.83 g/mol
Exact Mass335.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C14H25N3O4.ClH/c1-2-11(14(19)17-5-7-20-8-6-17)16-13(18)12-4-3-10(9-15)21-12;/h10-12H,2-9,15H2,1H3,(H,16,18);1H/t10-,11?,12+;/m1./s1
InChIKeyRMRYGNUCOXCLGL-QRVSAPIOSA-N
XLogP-0.33
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120790959
N-(1-morpholin-4-yl-1-oxobutan-2-yl)morpholine-2-carboxamide
CID 119810252
(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
CID 107564932
(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637145
(2S,5R)-5-(aminomethyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791303
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
(2S,5R)-5-(aminomethyl)-N-[4-(morpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786426
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride (CID 120795511) is (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride is CCC(NC(=O)[C@@H]1CC[C@H](CN)O1)C(=O)N1CCOCC1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is RMRYGNUCOXCLGL-QRVSAPIOSA-N. The full InChI is InChI=1S/C14H25N3O4.ClH/c1-2-11(14(19)17-5-7-20-8-6-17)16-13(18)12-4-3-10(9-15)21-12;/h10-12H,2-9,15H2,1H3,(H,16,18);1H/t10-,11?,12+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of -0.33, 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-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120795511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).