(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid

C7H16N4O3 — CID 5318222

IUPAC(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid
SMILESNC(N)=NCC[C@@H](O)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m1/s1
InChIKeyUFBPWFODSIJGPL-RFZPGFLSSA-N
MW204.23 g/mol
LogP-2.19
Rot. Bonds6

About (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid

(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid (PubChem CID 5318222) has the molecular formula C7H16N4O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid
PubChem CID5318222
Molecular FormulaC7H16N4O3
Molecular Weight204.23 g/mol
Exact Mass204.12
IUPAC Name(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid
SMILESNC(N)=NCC[C@@H](O)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m1/s1
InChIKeyUFBPWFODSIJGPL-RFZPGFLSSA-N
XLogP-2.19
TPSA147.95 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 ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
CID 141048538
CID 141048538
octadecakis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);octakis((2S)-2-amino-4-methylpentanoic acid)
CID 173449428
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)
CID 173168224

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid?
The IUPAC name of (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid (CID 5318222) is (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid.
What is the SMILES notation for (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid?
The canonical SMILES for (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid is NC(N)=NCC[C@@H](O)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid?
The InChIKey is UFBPWFODSIJGPL-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid?
(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid has a molecular weight of 204.23 g/mol, XLogP of -2.19, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid is sourced from PubChem (CID 5318222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).