(2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide

C8H17N5O2 — CID 7019514

IUPAC(2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide
SMILESCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIInChI=1S/C8H17N5O2/c1-5(14)13-6(7(9)15)3-2-4-12-8(10)11/h6H,2-4H2,1H3,(H2,9,15)(H,13,14)(H4,10,11,12)/t6-/m0/s1
InChIKeyZWAIIHKSWHGLFY-LURJTMIESA-N
MW215.26 g/mol
LogP-1.97
Rot. Bonds6

About (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide

(2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide (PubChem CID 7019514) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide
PubChem CID7019514
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name(2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide
SMILESCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIInChI=1S/C8H17N5O2/c1-5(14)13-6(7(9)15)3-2-4-12-8(10)11/h6H,2-4H2,1H3,(H2,9,15)(H,13,14)(H4,10,11,12)/t6-/m0/s1
InChIKeyZWAIIHKSWHGLFY-LURJTMIESA-N
XLogP-1.97
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-1.97
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide (CID 7019514) is (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide is CC(=O)N[C@@H](CCCN=C(N)N)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide?
The InChIKey is ZWAIIHKSWHGLFY-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N5O2/c1-5(14)13-6(7(9)15)3-2-4-12-8(10)11/h6H,2-4H2,1H3,(H2,9,15)(H,13,14)(H4,10,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide?
(2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide has a molecular weight of 215.26 g/mol, XLogP of -1.97, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 7019514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).