(2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride

C17H27ClN4O3 — CID 171687785

IUPAC(2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride
SMILESCl.NCCCC[C@@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C17H26N4O3.ClH/c18-9-5-4-8-13(19)17(23)20-10-14-16(21-15(22)11-24-14)12-6-2-1-3-7-12;/h1-3,6-7,13-14,16H,4-5,8-11,18-19H2,(H,20,23)(H,21,22);1H/t13-,14+,16-;/m1./s1
InChIKeyMSSIARCOCQYINM-CFDZSLPFSA-N
MW370.88 g/mol
LogP0.24
Rot. Bonds8

About (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride

(2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride (PubChem CID 171687785) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride
PubChem CID171687785
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC Name(2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride
SMILESCl.NCCCC[C@@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C17H26N4O3.ClH/c18-9-5-4-8-13(19)17(23)20-10-14-16(21-15(22)11-24-14)12-6-2-1-3-7-12;/h1-3,6-7,13-14,16H,4-5,8-11,18-19H2,(H,20,23)(H,21,22);1H/t13-,14+,16-;/m1./s1
InChIKeyMSSIARCOCQYINM-CFDZSLPFSA-N
XLogP0.24
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-N-(benzenesulfonylmethyl)hexanamide
CID 18957410
(2S)-2,6-diamino-N-(thiophen-2-ylmethyl)hexanamide
CID 70869921
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
(2S)-2,6-diamino-N-(benzenesulfonyl)hexanamide
CID 67920805
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
CID 106135501
(2S)-2-amino-4-phenyl-N-(thian-2-ylmethyl)butanamide
CID 104984623
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
magnesium;2-[[(2S)-2,6-diaminohexanoyl]amino]acetic acid;hydride
CID 174953341

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride?
The IUPAC name of (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride (CID 171687785) is (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride.
What is the SMILES notation for (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride?
The canonical SMILES for (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride is Cl.NCCCC[C@@H](N)C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride?
The InChIKey is MSSIARCOCQYINM-CFDZSLPFSA-N. The full InChI is InChI=1S/C17H26N4O3.ClH/c18-9-5-4-8-13(19)17(23)20-10-14-16(21-15(22)11-24-14)12-6-2-1-3-7-12;/h1-3,6-7,13-14,16H,4-5,8-11,18-19H2,(H,20,23)(H,21,22);1H/t13-,14+,16-;/m1./s1.
What are the key properties of (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride?
(2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-[[(2S,3R)-5-oxo-3-phenylmorpholin-2-yl]methyl]hexanamide;hydrochloride is sourced from PubChem (CID 171687785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).