(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride

C18H26ClN3O3 — CID 119602840

IUPAC(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H25N3O3.ClH/c19-9-14-7-4-8-15(14)20-18(23)16-11-24-12-17(22)21(16)10-13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,19H2,(H,20,23);1H/t14?,15?,16-;/m1./s1
InChIKeyOMVFJYWAJJIMDF-BCWBXBSASA-N
MW367.88 g/mol
LogP1.08
Rot. Bonds5

About (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride

(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride (PubChem CID 119602840) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
PubChem CID119602840
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H25N3O3.ClH/c19-9-14-7-4-8-15(14)20-18(23)16-11-24-12-17(22)21(16)10-13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,19H2,(H,20,23);1H/t14?,15?,16-;/m1./s1
InChIKeyOMVFJYWAJJIMDF-BCWBXBSASA-N
XLogP1.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120577029
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
CID 120601731
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
CID 97086193

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride (CID 119602840) is (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
The InChIKey is OMVFJYWAJJIMDF-BCWBXBSASA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-9-14-7-4-8-15(14)20-18(23)16-11-24-12-17(22)21(16)10-13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,19H2,(H,20,23);1H/t14?,15?,16-;/m1./s1.
What are the key properties of (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride?
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119602840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).