(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid

C11H24N4O2 — CID 11042985

IUPAC(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
SMILESCCNC(=NCCCC[C@@H](N)C(=O)O)NCC
InChIInChI=1S/C11H24N4O2/c1-3-13-11(14-4-2)15-8-6-5-7-9(12)10(16)17/h9H,3-8,12H2,1-2H3,(H,16,17)(H2,13,14,15)/t9-/m1/s1
InChIKeyPWLYCRQCVMQUBU-SECBINFHSA-N
MW244.34 g/mol
LogP0.14
Rot. Bonds8

About (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid

(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid (PubChem CID 11042985) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
PubChem CID11042985
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
SMILESCCNC(=NCCCC[C@@H](N)C(=O)O)NCC
InChIInChI=1S/C11H24N4O2/c1-3-13-11(14-4-2)15-8-6-5-7-9(12)10(16)17/h9H,3-8,12H2,1-2H3,(H,16,17)(H2,13,14,15)/t9-/m1/s1
InChIKeyPWLYCRQCVMQUBU-SECBINFHSA-N
XLogP0.14
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid
CID 154571990
(2S)-2-amino-4-[[amino(ethylamino)methylidene]amino]butanoic acid
CID 11286925
(2S)-2-amino-6-[(1-carboxy-3-oxobutylidene)amino]hexanoic acid
CID 137348558
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-aminoacetic acid;2-butyl-1,3-diethylguanidine
CID 170732226
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid?
The IUPAC name of (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid (CID 11042985) is (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid?
The canonical SMILES for (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid is CCNC(=NCCCC[C@@H](N)C(=O)O)NCC.
What is the InChIKey of (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid?
The InChIKey is PWLYCRQCVMQUBU-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-3-13-11(14-4-2)15-8-6-5-7-9(12)10(16)17/h9H,3-8,12H2,1-2H3,(H,16,17)(H2,13,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid?
(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid has a molecular weight of 244.34 g/mol, XLogP of 0.14, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid is sourced from PubChem (CID 11042985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).