4-methylpentan-2-yl 2-aminoacetate;phenol

C14H23NO3 — CID 145114539

IUPAC4-methylpentan-2-yl 2-aminoacetate;phenol
SMILESCC(C)CC(C)OC(=O)CN.Oc1ccccc1
InChIInChI=1S/C8H17NO2.C6H6O/c1-6(2)4-7(3)11-8(10)5-9;7-6-4-2-1-3-5-6/h6-7H,4-5,9H2,1-3H3;1-5,7H
InChIKeyXWQYMIPTZJDCNZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.32
Rot. Bonds4

About 4-methylpentan-2-yl 2-aminoacetate;phenol

4-methylpentan-2-yl 2-aminoacetate;phenol (PubChem CID 145114539) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-aminoacetate;phenol.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-aminoacetate;phenol
PubChem CID145114539
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-methylpentan-2-yl 2-aminoacetate;phenol
SMILESCC(C)CC(C)OC(=O)CN.Oc1ccccc1
InChIInChI=1S/C8H17NO2.C6H6O/c1-6(2)4-7(3)11-8(10)5-9;7-6-4-2-1-3-5-6/h6-7H,4-5,9H2,1-3H3;1-5,7H
InChIKeyXWQYMIPTZJDCNZ-UHFFFAOYSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenylmethanethiol;1-phenylpropan-2-yl 2-aminoacetate
CID 142299066
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
CID 159230646
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
4-methylpentan-2-yl 5-phenylpentanoate
CID 91691729
4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025
2-methylpropan-1-ol;phenol
CID 158335156
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
1-O-(2-fluorophenyl) 4-O-(4-methylpentan-2-yl) butanedioate
CID 91732015
benzyl 2-aminoacetate
CID 122130027
4-methoxy-3-methyl-4-oxobutanoic acid;phenol
CID 68856622
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-aminoacetate;phenol?
The IUPAC name of 4-methylpentan-2-yl 2-aminoacetate;phenol (CID 145114539) is 4-methylpentan-2-yl 2-aminoacetate;phenol.
What is the SMILES notation for 4-methylpentan-2-yl 2-aminoacetate;phenol?
The canonical SMILES for 4-methylpentan-2-yl 2-aminoacetate;phenol is CC(C)CC(C)OC(=O)CN.Oc1ccccc1.
What is the InChIKey of 4-methylpentan-2-yl 2-aminoacetate;phenol?
The InChIKey is XWQYMIPTZJDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C6H6O/c1-6(2)4-7(3)11-8(10)5-9;7-6-4-2-1-3-5-6/h6-7H,4-5,9H2,1-3H3;1-5,7H.
What are the key properties of 4-methylpentan-2-yl 2-aminoacetate;phenol?
4-methylpentan-2-yl 2-aminoacetate;phenol has a molecular weight of 253.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-aminoacetate;phenol is sourced from PubChem (CID 145114539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).