[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate

C15H30N2O5 — CID 137495012

IUPAC[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OC(C)(C)CC(C)(C)OC(=O)CNCO
InChIInChI=1S/C15H30N2O5/c1-10(2)12(16)13(20)22-15(5,6)8-14(3,4)21-11(19)7-17-9-18/h10,12,17-18H,7-9,16H2,1-6H3
InChIKeyYNYCUQDYWWROEW-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.54
Rot. Bonds9

About [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate

[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate (PubChem CID 137495012) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate
PubChem CID137495012
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Name[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OC(C)(C)CC(C)(C)OC(=O)CNCO
InChIInChI=1S/C15H30N2O5/c1-10(2)12(16)13(20)22-15(5,6)8-14(3,4)21-11(19)7-17-9-18/h10,12,17-18H,7-9,16H2,1-6H3
InChIKeyYNYCUQDYWWROEW-UHFFFAOYSA-N
XLogP0.54
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
CID 170203157
[4-[2-(2-hydroxypropan-2-ylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-(tert-butylamino)-3-methylbutanoate;propane
CID 156823920
2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
CID 139681730
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
CID 154979439
2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
CID 102466999
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
CID 154979440
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
(1-hydroxy-2-methylpropan-2-yl) 2-methylpropanoate
CID 123371841
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750

Frequently Asked Questions

What is the IUPAC name of [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate?
The IUPAC name of [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate (CID 137495012) is [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate?
The canonical SMILES for [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OC(C)(C)CC(C)(C)OC(=O)CNCO.
What is the InChIKey of [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate?
The InChIKey is YNYCUQDYWWROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-10(2)12(16)13(20)22-15(5,6)8-14(3,4)21-11(19)7-17-9-18/h10,12,17-18H,7-9,16H2,1-6H3.
What are the key properties of [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate?
[4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate has a molecular weight of 318.41 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(hydroxymethylamino)acetyl]oxy-2,4-dimethylpentan-2-yl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 137495012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).