methylamino 6-aminohexanoate

C7H16N2O2 — CID 176679368

IUPACmethylamino 6-aminohexanoate
SMILESCNOC(=O)CCCCCN
InChIInChI=1S/C7H16N2O2/c1-9-11-7(10)5-3-2-4-6-8/h9H,2-6,8H2,1H3
InChIKeyIABGGGJYXXOBQW-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.18
Rot. Bonds6

About methylamino 6-aminohexanoate

methylamino 6-aminohexanoate (PubChem CID 176679368) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is methylamino 6-aminohexanoate.

Molecular Properties

Compound Namemethylamino 6-aminohexanoate
PubChem CID176679368
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namemethylamino 6-aminohexanoate
SMILESCNOC(=O)CCCCCN
InChIInChI=1S/C7H16N2O2/c1-9-11-7(10)5-3-2-4-6-8/h9H,2-6,8H2,1H3
InChIKeyIABGGGJYXXOBQW-UHFFFAOYSA-N
XLogP0.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 10-aminodecanoate
CID 10655700
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
9-aminononanoyl 12-aminododecanoate
CID 88667925
6-aminohexaneperoxoic acid
CID 22717715
12-aminododecaneperoxoic acid
CID 19931514
amino 8-aminooctanoate
CID 87659694
bis(2-aminoethylamino) nonanedioate
CID 88731142
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
amino 5-aminopentanoate
CID 22929227
(2-aminoethylamino) octadecanoate
CID 87496709
butyl 7-aminoheptanoate
CID 20502898
bis(3-aminopropyl) hexadecanedioate
CID 100956713

Frequently Asked Questions

What is the IUPAC name of methylamino 6-aminohexanoate?
The IUPAC name of methylamino 6-aminohexanoate (CID 176679368) is methylamino 6-aminohexanoate.
What is the SMILES notation for methylamino 6-aminohexanoate?
The canonical SMILES for methylamino 6-aminohexanoate is CNOC(=O)CCCCCN.
What is the InChIKey of methylamino 6-aminohexanoate?
The InChIKey is IABGGGJYXXOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9-11-7(10)5-3-2-4-6-8/h9H,2-6,8H2,1H3.
What are the key properties of methylamino 6-aminohexanoate?
methylamino 6-aminohexanoate has a molecular weight of 160.22 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 6-aminohexanoate is sourced from PubChem (CID 176679368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).