diaminomethyl (2S)-2,6-diaminohexanoate

C7H18N4O2 — CID 87634064

IUPACdiaminomethyl (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)OC(N)N
InChIInChI=1S/C7H18N4O2/c8-4-2-1-3-5(9)6(12)13-7(10)11/h5,7H,1-4,8-11H2/t5-/m0/s1
InChIKeySLTWFZRWTVTTNX-YFKPBYRVSA-N
MW190.25 g/mol
LogP-1.81
Rot. Bonds6

About diaminomethyl (2S)-2,6-diaminohexanoate

diaminomethyl (2S)-2,6-diaminohexanoate (PubChem CID 87634064) has the molecular formula C7H18N4O2 and a molecular weight of 190.25 g/mol. Its IUPAC name is diaminomethyl (2S)-2,6-diaminohexanoate.

Molecular Properties

Compound Namediaminomethyl (2S)-2,6-diaminohexanoate
PubChem CID87634064
Molecular FormulaC7H18N4O2
Molecular Weight190.25 g/mol
Exact Mass190.14
IUPAC Namediaminomethyl (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)OC(N)N
InChIInChI=1S/C7H18N4O2/c8-4-2-1-3-5(9)6(12)13-7(10)11/h5,7H,1-4,8-11H2/t5-/m0/s1
InChIKeySLTWFZRWTVTTNX-YFKPBYRVSA-N
XLogP-1.81
TPSA130.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,6-diaminohexyl (2S)-2,6-diaminohexanoate
CID 57063543
1-aminoethyl (2S)-2,6-diaminohexanoate;trihydrochloride
CID 173222742
pentan-3-yl (2S)-2,6-diaminohexanoate
CID 151791737
amino (2S)-2,6-diaminohexanoate
CID 18651785
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
bis(2,6-diaminohexanoate);nickel(2+)
CID 175523935
lithium (2S)-2,6-diaminohexanoate
CID 87930747
dipotassium bis((2S)-2,6-diaminohexanoate)
CID 142684658
disodium;[(2S)-2,6-diaminohexanoyl]oxycarbonyl (2S)-2,6-diaminohexanoate;hydride
CID 174505551
formyl (2S)-2,6-diaminohexanoate
CID 57195999

Frequently Asked Questions

What is the IUPAC name of diaminomethyl (2S)-2,6-diaminohexanoate?
The IUPAC name of diaminomethyl (2S)-2,6-diaminohexanoate (CID 87634064) is diaminomethyl (2S)-2,6-diaminohexanoate.
What is the SMILES notation for diaminomethyl (2S)-2,6-diaminohexanoate?
The canonical SMILES for diaminomethyl (2S)-2,6-diaminohexanoate is NCCCC[C@H](N)C(=O)OC(N)N.
What is the InChIKey of diaminomethyl (2S)-2,6-diaminohexanoate?
The InChIKey is SLTWFZRWTVTTNX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H18N4O2/c8-4-2-1-3-5(9)6(12)13-7(10)11/h5,7H,1-4,8-11H2/t5-/m0/s1.
What are the key properties of diaminomethyl (2S)-2,6-diaminohexanoate?
diaminomethyl (2S)-2,6-diaminohexanoate has a molecular weight of 190.25 g/mol, XLogP of -1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethyl (2S)-2,6-diaminohexanoate is sourced from PubChem (CID 87634064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).