5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid

C7H15FN4O2 — CID 88629347

IUPAC5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
SMILESNC(N)=NCCCC(NCF)C(=O)O
InChIInChI=1S/C7H15FN4O2/c8-4-12-5(6(13)14)2-1-3-11-7(9)10/h5,12H,1-4H2,(H,13,14)(H4,9,10,11)
InChIKeyZSOMKTOYRKMTJS-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.99
Rot. Bonds7

About 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid

5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid (PubChem CID 88629347) has the molecular formula C7H15FN4O2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
PubChem CID88629347
Molecular FormulaC7H15FN4O2
Molecular Weight206.22 g/mol
Exact Mass206.12
IUPAC Name5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
SMILESNC(N)=NCCCC(NCF)C(=O)O
InChIInChI=1S/C7H15FN4O2/c8-4-12-5(6(13)14)2-1-3-11-7(9)10/h5,12H,1-4H2,(H,13,14)(H4,9,10,11)
InChIKeyZSOMKTOYRKMTJS-UHFFFAOYSA-N
XLogP-0.99
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.99
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
CID 87921702
16-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]hexadecanoic acid
CID 91121577
5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
CID 19382481
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
(2S)-2-[[amino(carboxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173073203
(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid
CID 71660635
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(2S)-6-(diaminomethylideneamino)-2-(2-sulfanylideneethylamino)hexanoic acid
CID 22853938
(2S)-5-(diaminomethylideneamino)-2-(oxaldehydoylamino)pentanoic acid
CID 173147392

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid?
The IUPAC name of 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid (CID 88629347) is 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid is NC(N)=NCCCC(NCF)C(=O)O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid?
The InChIKey is ZSOMKTOYRKMTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN4O2/c8-4-12-5(6(13)14)2-1-3-11-7(9)10/h5,12H,1-4H2,(H,13,14)(H4,9,10,11).
What are the key properties of 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid?
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid has a molecular weight of 206.22 g/mol, XLogP of -0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid is sourced from PubChem (CID 88629347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).