ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate

C12H24N2O3 — CID 65290762

IUPACethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H24N2O3/c1-4-17-11(16)9-14-10(15)5-6-12(2,3)7-8-13/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyXTLSGAQAQYVXCX-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds8

About ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate

ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate (PubChem CID 65290762) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
PubChem CID65290762
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H24N2O3/c1-4-17-11(16)9-14-10(15)5-6-12(2,3)7-8-13/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyXTLSGAQAQYVXCX-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
ethyl 2-(pentanoylamino)acetate
CID 4279931
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-(5-aminohexanoylamino)acetate
CID 82852077
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 44721217
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate (CID 65290762) is ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate is CCOC(=O)CNC(=O)CCC(C)(C)CCN.
What is the InChIKey of ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate?
The InChIKey is XTLSGAQAQYVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-17-11(16)9-14-10(15)5-6-12(2,3)7-8-13/h4-9,13H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate?
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate is sourced from PubChem (CID 65290762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).