6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid

C12H24N2O3 — CID 115356547

IUPAC6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
SMILESCC(C)(C)NC(=O)CNCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,3)14-10(15)9-13-8-6-4-5-7-11(16)17/h13H,4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXYOKNHMQEQUPNV-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.14
Rot. Bonds8

About 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid

6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid (PubChem CID 115356547) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
PubChem CID115356547
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
SMILESCC(C)(C)NC(=O)CNCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(2,3)14-10(15)9-13-8-6-4-5-7-11(16)17/h13H,4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXYOKNHMQEQUPNV-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
10-(ethylamino)decanoic acid
CID 57308942
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
CID 115359916
N,N'-ditert-butylhexanediamide
CID 3593481
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
5-(nonylamino)pentanoic acid
CID 134497749

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid (CID 115356547) is 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid is CC(C)(C)NC(=O)CNCCCCCC(=O)O.
What is the InChIKey of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid?
The InChIKey is XYOKNHMQEQUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)14-10(15)9-13-8-6-4-5-7-11(16)17/h13H,4-9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid?
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid is sourced from PubChem (CID 115356547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).