(4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide

C8H17N5O2 — CID 23599637

IUPAC(4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide
SMILESNC(=O)CC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C8H17N5O2/c9-5(6(14)4-7(10)15)2-1-3-13-8(11)12/h5H,1-4,9H2,(H2,10,15)(H4,11,12,13)/t5-/m0/s1
InChIKeyZGUVJWCBUHISFB-YFKPBYRVSA-N
MW215.26 g/mol
LogP-2.19
Rot. Bonds7

About (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide

(4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide (PubChem CID 23599637) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide.

Molecular Properties

Compound Name(4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide
PubChem CID23599637
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name(4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide
SMILESNC(=O)CC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C8H17N5O2/c9-5(6(14)4-7(10)15)2-1-3-13-8(11)12/h5H,1-4,9H2,(H2,10,15)(H4,11,12,13)/t5-/m0/s1
InChIKeyZGUVJWCBUHISFB-YFKPBYRVSA-N
XLogP-2.19
TPSA150.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide?
The IUPAC name of (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide (CID 23599637) is (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide.
What is the SMILES notation for (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide?
The canonical SMILES for (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide is NC(=O)CC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide?
The InChIKey is ZGUVJWCBUHISFB-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H17N5O2/c9-5(6(14)4-7(10)15)2-1-3-13-8(11)12/h5H,1-4,9H2,(H2,10,15)(H4,11,12,13)/t5-/m0/s1.
What are the key properties of (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide?
(4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide has a molecular weight of 215.26 g/mol, XLogP of -2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-7-(diaminomethylideneamino)-3-oxoheptanamide is sourced from PubChem (CID 23599637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).