6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid

C14H28N2O3 — CID 79257053

IUPAC6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)CNC(C)(C)C)CCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-13(2,3)16-10-11(17)15-9-8-14(4,5)7-6-12(18)19/h16H,6-10H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyGHMGZRMNAXBQQL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.77
Rot. Bonds8

About 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid

6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 79257053) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
PubChem CID79257053
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)CNC(C)(C)C)CCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-13(2,3)16-10-11(17)15-9-8-14(4,5)7-6-12(18)19/h16H,6-10H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyGHMGZRMNAXBQQL-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65285792
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid (CID 79257053) is 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)CNC(C)(C)C)CCC(=O)O.
What is the InChIKey of 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is GHMGZRMNAXBQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)16-10-11(17)15-9-8-14(4,5)7-6-12(18)19/h16H,6-10H2,1-5H3,(H,15,17)(H,18,19).
What are the key properties of 6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.77, 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)acetyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 79257053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).