phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate

C24H45N3O7 — CID 159230646

IUPACphenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
SMILESCC(C)OC(=O)C(C)N.CC(C)OC(=O)CN.CCC(N)C(=O)OC(C)C.Oc1ccccc1
InChIInChI=1S/C7H15NO2.C6H13NO2.C6H6O.C5H11NO2/c1-4-6(8)7(9)10-5(2)3;1-4(2)9-6(8)5(3)7;7-6-4-2-1-3-5-6;1-4(2)8-5(7)3-6/h5-6H,4,8H2,1-3H3;4-5H,7H2,1-3H3;1-5,7H;4H,3,6H2,1-2H3
InChIKeyKSVVEIUCRSCLKR-UHFFFAOYSA-N
MW487.64 g/mol
LogP2.25
Rot. Bonds7

About phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate

phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate (PubChem CID 159230646) has the molecular formula C24H45N3O7 and a molecular weight of 487.64 g/mol. Its IUPAC name is phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate.

Molecular Properties

Compound Namephenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
PubChem CID159230646
Molecular FormulaC24H45N3O7
Molecular Weight487.64 g/mol
Exact Mass487.33
IUPAC Namephenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
SMILESCC(C)OC(=O)C(C)N.CC(C)OC(=O)CN.CCC(N)C(=O)OC(C)C.Oc1ccccc1
InChIInChI=1S/C7H15NO2.C6H13NO2.C6H6O.C5H11NO2/c1-4-6(8)7(9)10-5(2)3;1-4(2)9-6(8)5(3)7;7-6-4-2-1-3-5-6;1-4(2)8-5(7)3-6/h5-6H,4,8H2,1-3H3;4-5H,7H2,1-3H3;1-5,7H;4H,3,6H2,1-2H3
InChIKeyKSVVEIUCRSCLKR-UHFFFAOYSA-N
XLogP2.25
TPSA177.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate with MolForge

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Launch Full Analysis

Related Compounds

4-methylpentan-2-yl 2-aminoacetate;phenol
CID 145114539
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
2-aminoethanol;2-ethoxyphenol;(2-ethoxyphenyl)methanol;2-hydroxyethyl(trimethyl)azanium;hydroxymethyl 2,2-dimethylpropanoate;hydroxymethyl propan-2-yl carbonate;methane;2-methylpropan-2-ol;phenol;phenylmethanol;propan-2-ol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate
CID 158438121
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
propan-2-yl 2-amino-3-phenoxypropanoate
CID 123209648
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate
CID 145444503
propan-2-yl 2,3-diaminopropanoate
CID 141295176
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
The IUPAC name of phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate (CID 159230646) is phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate.
What is the SMILES notation for phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
The canonical SMILES for phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate is CC(C)OC(=O)C(C)N.CC(C)OC(=O)CN.CCC(N)C(=O)OC(C)C.Oc1ccccc1.
What is the InChIKey of phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
The InChIKey is KSVVEIUCRSCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H13NO2.C6H6O.C5H11NO2/c1-4-6(8)7(9)10-5(2)3;1-4(2)9-6(8)5(3)7;7-6-4-2-1-3-5-6;1-4(2)8-5(7)3-6/h5-6H,4,8H2,1-3H3;4-5H,7H2,1-3H3;1-5,7H;4H,3,6H2,1-2H3.
What are the key properties of phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate?
phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate has a molecular weight of 487.64 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;propan-2-yl 2-aminoacetate;propan-2-yl 2-aminobutanoate;propan-2-yl 2-aminopropanoate is sourced from PubChem (CID 159230646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).