6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid

C15H30N2O3 — CID 65286271

IUPAC6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)C(C)(C)C(C)(C)N)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-13(2,8-7-11(18)19)9-10-17-12(20)14(3,4)15(5,6)16/h7-10,16H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyWOUPIPABZFMUAE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.15
Rot. Bonds8

About 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid

6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65286271) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65286271
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)C(C)(C)C(C)(C)N)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-13(2,8-7-11(18)19)9-10-17-12(20)14(3,4)15(5,6)16/h7-10,16H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyWOUPIPABZFMUAE-UHFFFAOYSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-amino-2-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 79812253
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
4,4-dimethyl-6-[(2-methyl-2-methylsulfonylpropanoyl)amino]hexanoic acid
CID 65284262
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid (CID 65286271) is 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)C(C)(C)C(C)(C)N)CCC(=O)O.
What is the InChIKey of 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is WOUPIPABZFMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-13(2,8-7-11(18)19)9-10-17-12(20)14(3,4)15(5,6)16/h7-10,16H2,1-6H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid?
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65286271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).