2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid

C8H18N4O2 — CID 501

IUPAC2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
SMILESCN(C)/C(N)=N/CCCC(N)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyYDGMGEXADBMOMJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP-0.95
Rot. Bonds5

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

2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid (PubChem CID 501) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
PubChem CID501
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
SMILESCN(C)/C(N)=N/CCCC(N)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)
InChIKeyYDGMGEXADBMOMJ-UHFFFAOYSA-N
XLogP-0.95
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
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

L-Arginine
CID 6322
N,N-Dimethylarginine
CID 123831
L-Arginine, monohydrochloride
CID 66250
DL-Arginine
CID 232
Ng-monomethyl-l-arginine
CID 132862
Symmetric Dimethylarginine
CID 169148
D-Arginine
CID 71070
Tilarginine Acetate
CID 135242
Nomega-Hydroxy-L-arginine
CID 123895
Nomega-Propyl-L-arginine
CID 447180
Octopine
CID 108172
DL-arginine hydrochloride
CID 85880

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid?
The IUPAC name of 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid (CID 501) is 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid is CN(C)/C(N)=N/CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid?
The InChIKey is YDGMGEXADBMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14).
What are the key properties of 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid?
2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid has a molecular weight of 202.26 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid is sourced from PubChem (CID 501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).