[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate

C7H18N4O4Si — CID 21304331

IUPAC[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate
SMILESC[Si](O)(O)OC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C7H18N4O4Si/c1-16(13,14)15-6(12)5(8)3-2-4-11-7(9)10/h5,13-14H,2-4,8H2,1H3,(H4,9,10,11)
InChIKeyKPRRIJBCTAIFMQ-UHFFFAOYSA-N
MW250.33 g/mol
LogP-2.54
Rot. Bonds6

About [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate

[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 21304331) has the molecular formula C7H18N4O4Si and a molecular weight of 250.33 g/mol. Its IUPAC name is [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Name[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID21304331
Molecular FormulaC7H18N4O4Si
Molecular Weight250.33 g/mol
Exact Mass250.11
IUPAC Name[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate
SMILESC[Si](O)(O)OC(=O)C(N)CCCN=C(N)N
InChIInChI=1S/C7H18N4O4Si/c1-16(13,14)15-6(12)5(8)3-2-4-11-7(9)10/h5,13-14H,2-4,8H2,1H3,(H4,9,10,11)
InChIKeyKPRRIJBCTAIFMQ-UHFFFAOYSA-N
XLogP-2.54
TPSA157.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 5-2.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
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
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 166484368
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 66575041
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54219477
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939

Frequently Asked Questions

What is the IUPAC name of [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate (CID 21304331) is [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate is C[Si](O)(O)OC(=O)C(N)CCCN=C(N)N.
What is the InChIKey of [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is KPRRIJBCTAIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O4Si/c1-16(13,14)15-6(12)5(8)3-2-4-11-7(9)10/h5,13-14H,2-4,8H2,1H3,(H4,9,10,11).
What are the key properties of [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate?
[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 250.33 g/mol, XLogP of -2.54, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 21304331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).