(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid

C7H16N4O2 — CID 9085

IUPAC(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
SMILESNC(N)=NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
InChIKeyQUOGESRFPZDMMT-YFKPBYRVSA-N
MW188.23 g/mol
LogP-1.16
Rot. Bonds6

About (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid

(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid (PubChem CID 9085) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
PubChem CID9085
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
SMILESNC(N)=NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
InChIKeyQUOGESRFPZDMMT-YFKPBYRVSA-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

L-Arginine
CID 6322
L-Arginine, monohydrochloride
CID 66250
DL-Arginine
CID 232
D-Arginine
CID 71070
Nomega-Hydroxy-L-arginine
CID 123895
DL-arginine hydrochloride
CID 85880
Nomega-hydroxyarginine
CID 440849
L-argininium(2+)
CID 444360
N-Iminoethyl-L-lysine
CID 2733506
L-lysinium(2+)
CID 5460925
N6-ethanimidoyl-D-lysine
CID 11957582
Arginine hydrochloride, D-
CID 12326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid (CID 9085) is (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid is NC(N)=NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid?
The InChIKey is QUOGESRFPZDMMT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid?
(2S)-2-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 (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid is sourced from PubChem (CID 9085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).