[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate

C16H32N2O4 — CID 170203157

IUPAC[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
SMILESCC(CC(C)(C)OC(=O)C(N)C(C)C)OC(=O)C(N)C(C)C
InChIInChI=1S/C16H32N2O4/c1-9(2)12(17)14(19)21-11(5)8-16(6,7)22-15(20)13(18)10(3)4/h9-13H,8,17-18H2,1-7H3
InChIKeyANSBNNDEDBZFLC-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.60
Rot. Bonds8

About [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate

[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate (PubChem CID 170203157) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
PubChem CID170203157
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
SMILESCC(CC(C)(C)OC(=O)C(N)C(C)C)OC(=O)C(N)C(C)C
InChIInChI=1S/C16H32N2O4/c1-9(2)12(17)14(19)21-11(5)8-16(6,7)22-15(20)13(18)10(3)4/h9-13H,8,17-18H2,1-7H3
InChIKeyANSBNNDEDBZFLC-UHFFFAOYSA-N
XLogP1.60
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate with MolForge

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Related Compounds

pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
CID 102466999
2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
CID 139681730
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
(4-acetyloxy-2-methylpentan-2-yl) 2,2-dimethylpropanoate
CID 10657947
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate
CID 137495012
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
CID 54208799

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate?
The IUPAC name of [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate (CID 170203157) is [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate?
The canonical SMILES for [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate is CC(CC(C)(C)OC(=O)C(N)C(C)C)OC(=O)C(N)C(C)C.
What is the InChIKey of [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate?
The InChIKey is ANSBNNDEDBZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-9(2)12(17)14(19)21-11(5)8-16(6,7)22-15(20)13(18)10(3)4/h9-13H,8,17-18H2,1-7H3.
What are the key properties of [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate?
[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate has a molecular weight of 316.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 170203157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).