(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid

C7H16N4O2 — CID 54401739

IUPAC(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid
SMILESNC(N)=NCCC[C@@H](N)CC(=O)O
InChIInChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
InChIKeyVNWXCGKMEWXYBP-RXMQYKEDSA-N
MW188.23 g/mol
LogP-1.16
Rot. Bonds6

About (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid

(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid (PubChem CID 54401739) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid
PubChem CID54401739
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid
SMILESNC(N)=NCCC[C@@H](N)CC(=O)O
InChIInChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
InChIKeyVNWXCGKMEWXYBP-RXMQYKEDSA-N
XLogP-1.16
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.16
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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Related Compounds

(4S)-4-amino-7-(diaminomethylideneamino)heptanoic acid
CID 87088129
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327
17-(diaminomethylideneamino)-3-hydroxyheptadecanoic acid
CID 122554434
bis(2-aminoacetic acid);2-aminobutanedioic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 18362551
(2S)-2-aminobutanedioic acid;(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
CID 158816513
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-(4-amino-5-hydroxypentyl)guanidine
CID 154790102
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
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
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid?
The IUPAC name of (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid (CID 54401739) is (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid.
What is the SMILES notation for (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid?
The canonical SMILES for (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid is NC(N)=NCCC[C@@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid?
The InChIKey is VNWXCGKMEWXYBP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid?
(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid is sourced from PubChem (CID 54401739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).