(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid

C7H16N4O3 — CID 23519691

IUPAC(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid
SMILESC[C@@](CCCN=C(N)N)(NO)C(=O)O
InChIInChI=1S/C7H16N4O3/c1-7(11-14,5(12)13)3-2-4-10-6(8)9/h11,14H,2-4H2,1H3,(H,12,13)(H4,8,9,10)/t7-/m0/s1
InChIKeyBFSUVRKSVURVKH-ZETCQYMHSA-N
MW204.23 g/mol
LogP-1.14
Rot. Bonds6

About (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid

(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid (PubChem CID 23519691) has the molecular formula C7H16N4O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid
PubChem CID23519691
Molecular FormulaC7H16N4O3
Molecular Weight204.23 g/mol
Exact Mass204.12
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid
SMILESC[C@@](CCCN=C(N)N)(NO)C(=O)O
InChIInChI=1S/C7H16N4O3/c1-7(11-14,5(12)13)3-2-4-10-6(8)9/h11,14H,2-4H2,1H3,(H,12,13)(H4,8,9,10)/t7-/m0/s1
InChIKeyBFSUVRKSVURVKH-ZETCQYMHSA-N
XLogP-1.14
TPSA133.96 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid (CID 23519691) is (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid is C[C@@](CCCN=C(N)N)(NO)C(=O)O.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid?
The InChIKey is BFSUVRKSVURVKH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N4O3/c1-7(11-14,5(12)13)3-2-4-10-6(8)9/h11,14H,2-4H2,1H3,(H,12,13)(H4,8,9,10)/t7-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid?
(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.14, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid is sourced from PubChem (CID 23519691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).