[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium

C15H26N3O+ — CID 156803632

IUPAC[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium
SMILESC[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCN
InChIInChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/p+1/t12-,14+/m1/s1
InChIKeyVOBHXZCDAVEXEY-OCCSQVGLSA-O
MW264.39 g/mol
LogP0.47
Rot. Bonds8

About [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium

[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium (PubChem CID 156803632) has the molecular formula C15H26N3O+ and a molecular weight of 264.39 g/mol. Its IUPAC name is [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium
PubChem CID156803632
Molecular FormulaC15H26N3O+
Molecular Weight264.39 g/mol
Exact Mass264.21
IUPAC Name[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium
SMILESC[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCN
InChIInChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/p+1/t12-,14+/m1/s1
InChIKeyVOBHXZCDAVEXEY-OCCSQVGLSA-O
XLogP0.47
TPSA82.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
(2R)-2,6-diamino-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]hexanamide
CID 131709054
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
2,5-diaminopentanoic acid;2,5-diamino-N-(1-phenylpropan-2-yl)pentanamide;1-phenylpropan-2-amine
CID 159256589
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
[(5S)-5-(methylamino)-6-oxo-6-[[(2S)-1-phenylpropan-2-yl]amino]hexyl]azanium
CID 142547448
N-(6-aminohexan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 145185953
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium?
The IUPAC name of [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium (CID 156803632) is [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium.
What is the SMILES notation for [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium?
The canonical SMILES for [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium is C[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCCN.
What is the InChIKey of [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium?
The InChIKey is VOBHXZCDAVEXEY-OCCSQVGLSA-O. The full InChI is InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/p+1/t12-,14+/m1/s1.
What are the key properties of [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium?
[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium has a molecular weight of 264.39 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium is sourced from PubChem (CID 156803632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).