ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate

C10H22N4O2 — CID 176570974

IUPACethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
SMILESCCOC(=O)C(N)CCC/N=C(\N)N(C)C
InChIInChI=1S/C10H22N4O2/c1-4-16-9(15)8(11)6-5-7-13-10(12)14(2)3/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyYPRWAQQXIPLCIN-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.47
Rot. Bonds6

About ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate

ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate (PubChem CID 176570974) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
PubChem CID176570974
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Nameethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
SMILESCCOC(=O)C(N)CCC/N=C(\N)N(C)C
InChIInChI=1S/C10H22N4O2/c1-4-16-9(15)8(11)6-5-7-13-10(12)14(2)3/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyYPRWAQQXIPLCIN-UHFFFAOYSA-N
XLogP-0.47
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
2-(diethylamino)ethyl (2S)-2-amino-5-[[amino-(diacetylamino)methylidene]amino]pentanoate
CID 131734632
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
CID 175579254
chloro 2-amino-5-(1-aminobutylideneamino)pentanoate
CID 53394744
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate?
The IUPAC name of ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate (CID 176570974) is ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate.
What is the SMILES notation for ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate?
The canonical SMILES for ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate is CCOC(=O)C(N)CCC/N=C(\N)N(C)C.
What is the InChIKey of ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate?
The InChIKey is YPRWAQQXIPLCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-4-16-9(15)8(11)6-5-7-13-10(12)14(2)3/h8H,4-7,11H2,1-3H3,(H2,12,13).
What are the key properties of ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate?
ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate has a molecular weight of 230.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate is sourced from PubChem (CID 176570974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).