methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate

C12H24N2O4 — CID 107222651

IUPACmethyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H24N2O4/c1-12(2,6-7-13)5-4-10(16)14-8-9(15)11(17)18-3/h9,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyOHYOJFITZKAPBQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.21
Rot. Bonds8

About methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate

methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate (PubChem CID 107222651) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
PubChem CID107222651
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H24N2O4/c1-12(2,6-7-13)5-4-10(16)14-8-9(15)11(17)18-3/h9,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyOHYOJFITZKAPBQ-UHFFFAOYSA-N
XLogP-0.21
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
methyl 3-[(3-amino-2,2-dimethylpropanoyl)amino]-2-hydroxypropanoate
CID 107222678
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
4-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214917
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
CID 103879246
6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
CID 65291287

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate (CID 107222651) is methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)CCC(C)(C)CCN.
What is the InChIKey of methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate?
The InChIKey is OHYOJFITZKAPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,6-7-13)5-4-10(16)14-8-9(15)11(17)18-3/h9,15H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate?
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate has a molecular weight of 260.33 g/mol, XLogP of -0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).