(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide

C14H19N3O3 — CID 119383741

IUPAC(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
SMILESNCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19N3O3/c15-6-7-16-14(19)12-9-20-10-13(18)17(12)8-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,16,19)/t12-/m1/s1
InChIKeyQFLHYGKSLMEHTL-GFCCVEGCSA-N
MW277.32 g/mol
LogP-0.51
Rot. Bonds5

About (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide

(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide (PubChem CID 119383741) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
PubChem CID119383741
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
SMILESNCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19N3O3/c15-6-7-16-14(19)12-9-20-10-13(18)17(12)8-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,16,19)/t12-/m1/s1
InChIKeyQFLHYGKSLMEHTL-GFCCVEGCSA-N
XLogP-0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840
4-benzyl-N-(5-chloro-2-hydroxyphenyl)-5-oxomorpholine-3-carboxamide
CID 56765990
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 56766019
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 97074669
(3S)-4-benzyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97075645
(3R)-4-benzyl-N-(3-methyl-2-pyridinyl)-5-oxomorpholine-3-carboxamide
CID 95985544

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide (CID 119383741) is (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide is NCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide?
The InChIKey is QFLHYGKSLMEHTL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-6-7-16-14(19)12-9-20-10-13(18)17(12)8-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide?
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 119383741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).