2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid

C13H25N3O2 — CID 142831938

IUPAC2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid
SMILESN/C1=N/[C@@H](CCCCC(N)C(=O)O)CCCCC1
InChIInChI=1S/C13H25N3O2/c14-11(13(17)18)8-5-4-7-10-6-2-1-3-9-12(15)16-10/h10-11H,1-9,14H2,(H2,15,16)(H,17,18)/t10-,11?/m1/s1
InChIKeyQBLOOVYOWTXGQA-NFJWQWPMSA-N
MW255.36 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid

2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid (PubChem CID 142831938) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid
PubChem CID142831938
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid
SMILESN/C1=N/[C@@H](CCCCC(N)C(=O)O)CCCCC1
InChIInChI=1S/C13H25N3O2/c14-11(13(17)18)8-5-4-7-10-6-2-1-3-9-12(15)16-10/h10-11H,1-9,14H2,(H2,15,16)(H,17,18)/t10-,11?/m1/s1
InChIKeyQBLOOVYOWTXGQA-NFJWQWPMSA-N
XLogP1.65
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-6-[(2S)-7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl]hexanoic acid
CID 10198675
methyl 2-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexanoate
CID 18340025
(2R)-2-amino-6-[(2S)-7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl]hexanoic acid;2-pent-4-enylcyclohexan-1-one;dihydrochloride
CID 159538330
(E,2R)-2-amino-6-[(2R)-7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl]hex-4-enoic acid
CID 59908808
3-amino-7-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)heptan-2-one
CID 142831802
cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid
CID 135385046
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-decylcyclohexan-1-one;2,6-diaminohexanoic acid
CID 66768529
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid?
The IUPAC name of 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid (CID 142831938) is 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid.
What is the SMILES notation for 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid?
The canonical SMILES for 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid is N/C1=N/[C@@H](CCCCC(N)C(=O)O)CCCCC1.
What is the InChIKey of 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid?
The InChIKey is QBLOOVYOWTXGQA-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-11(13(17)18)8-5-4-7-10-6-2-1-3-9-12(15)16-10/h10-11H,1-9,14H2,(H2,15,16)(H,17,18)/t10-,11?/m1/s1.
What are the key properties of 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid?
2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2R)-8-amino-2,3,4,5,6,7-hexahydroazocin-2-yl]hexanoic acid is sourced from PubChem (CID 142831938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).