[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate

C17H34N2O5 — CID 168989113

IUPAC[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate
SMILESCCC(COC)(COC(=O)C(N)C(C)C)COC(=O)C(N)C(C)C
InChIInChI=1S/C17H34N2O5/c1-7-17(8-22-6,9-23-15(20)13(18)11(2)3)10-24-16(21)14(19)12(4)5/h11-14H,7-10,18-19H2,1-6H3
InChIKeySHLDCTFHYFUNFU-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.08
Rot. Bonds11

About [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate

[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate (PubChem CID 168989113) has the molecular formula C17H34N2O5 and a molecular weight of 346.47 g/mol. Its IUPAC name is [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate
PubChem CID168989113
Molecular FormulaC17H34N2O5
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC Name[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate
SMILESCCC(COC)(COC(=O)C(N)C(C)C)COC(=O)C(N)C(C)C
InChIInChI=1S/C17H34N2O5/c1-7-17(8-22-6,9-23-15(20)13(18)11(2)3)10-24-16(21)14(19)12(4)5/h11-14H,7-10,18-19H2,1-6H3
InChIKeySHLDCTFHYFUNFU-UHFFFAOYSA-N
XLogP1.08
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate with MolForge

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Related Compounds

[2-(hydroxymethyl)-2-(methoxymethyl)butyl] 2-methylprop-2-enoate
CID 87795028
2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
CID 139681730
methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 158649110
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
2,2-dimethylbutyl 2-amino-3-methylbutanoate;2,2-dimethylpropyl 2-aminoacetate;2-methylpropane;propane
CID 154666048
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
CID 129178860
dodecyl 2-amino-3-methylbutanoate
CID 6453804
2,2,2-trifluoroethyl (2S,3S)-2-amino-3-methylpentanoate
CID 15170730

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate?
The IUPAC name of [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate (CID 168989113) is [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate?
The canonical SMILES for [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate is CCC(COC)(COC(=O)C(N)C(C)C)COC(=O)C(N)C(C)C.
What is the InChIKey of [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate?
The InChIKey is SHLDCTFHYFUNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O5/c1-7-17(8-22-6,9-23-15(20)13(18)11(2)3)10-24-16(21)14(19)12(4)5/h11-14H,7-10,18-19H2,1-6H3.
What are the key properties of [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate?
[2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate has a molecular weight of 346.47 g/mol, XLogP of 1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-3-methylbutanoyl)oxymethyl]-2-(methoxymethyl)butyl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 168989113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).