ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate

C8H18N4O2 — CID 10130416

IUPACethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESCCOC(=O)[C@H](N)CCCN=C(N)N
InChIInChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/t6-/m1/s1
InChIKeyAKGWUHIOEVNNPC-ZCFIWIBFSA-N
MW202.26 g/mol
LogP-1.07
Rot. Bonds6

About ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate

ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 10130416) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID10130416
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Nameethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESCCOC(=O)[C@H](N)CCCN=C(N)N
InChIInChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/t6-/m1/s1
InChIKeyAKGWUHIOEVNNPC-ZCFIWIBFSA-N
XLogP-1.07
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
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'}

Analyze ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
CID 176570974
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] octanoate
CID 57060583
3,3-dihydroxypropyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 90331954
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 66575041

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate (CID 10130416) is ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate is CCOC(=O)[C@H](N)CCCN=C(N)N.
What is the InChIKey of ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is AKGWUHIOEVNNPC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/t6-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate?
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 202.26 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 10130416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).