2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid

C10H20N2O3 — CID 65291863

IUPAC2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
SMILESCC(C)(CCN)CCC(=O)NCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,5-6-11)4-3-8(13)12-7-9(14)15/h3-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUFJPRAPBDLBOIL-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds7

About 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid

2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid (PubChem CID 65291863) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
PubChem CID65291863
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
SMILESCC(C)(CCN)CCC(=O)NCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,5-6-11)4-3-8(13)12-7-9(14)15/h3-7,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUFJPRAPBDLBOIL-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
6-(7-aminoheptanoylamino)-4,4-dimethylhexanoic acid
CID 65285837
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
CID 65291456
6-amino-4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]hexanamide
CID 65291143
6-amino-N-[(3-hydroxycyclobutyl)methyl]-4,4-dimethylhexanamide
CID 66007023

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid?
The IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid (CID 65291863) is 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid?
The canonical SMILES for 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid is CC(C)(CCN)CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid?
The InChIKey is UFJPRAPBDLBOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,5-6-11)4-3-8(13)12-7-9(14)15/h3-7,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid?
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid is sourced from PubChem (CID 65291863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).