(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid

C8H18N4O2 — CID 10798159

IUPAC(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
SMILESCCN/C(N)=N/CCC[C@@H](N)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-2-11-8(10)12-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)/t6-/m1/s1
InChIKeyACYCISZIFHPQCU-ZCFIWIBFSA-N
MW202.26 g/mol
LogP-0.90
Rot. Bonds6

About (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid

(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid (PubChem CID 10798159) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
PubChem CID10798159
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
SMILESCCN/C(N)=N/CCC[C@@H](N)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-2-11-8(10)12-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)/t6-/m1/s1
InChIKeyACYCISZIFHPQCU-ZCFIWIBFSA-N
XLogP-0.90
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.90
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

(2S)-2-amino-4-[[amino(ethylamino)methylidene]amino]butanoic acid
CID 11286925
(2S)-2-amino-5-[[amino-(prop-2-ynylamino)methylidene]amino]pentanoic acid
CID 135512453
(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid
CID 24801722
(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
CID 11042985
(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid
CID 138712746
2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid
CID 118548738
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid?
The IUPAC name of (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid (CID 10798159) is (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid?
The canonical SMILES for (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid is CCN/C(N)=N/CCC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid?
The InChIKey is ACYCISZIFHPQCU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-2-11-8(10)12-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid?
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid has a molecular weight of 202.26 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid is sourced from PubChem (CID 10798159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).