2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate

C12H26N2O3 — CID 123562825

IUPAC2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate
SMILESCC(C)(N)CC(C)(C(=O)OCCO)C(C)(C)N
InChIInChI=1S/C12H26N2O3/c1-10(2,13)8-12(5,11(3,4)14)9(16)17-7-6-15/h15H,6-8,13-14H2,1-5H3
InChIKeyBZZURCHZPPBYPE-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.39
Rot. Bonds6

About 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate

2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate (PubChem CID 123562825) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate
PubChem CID123562825
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate
SMILESCC(C)(N)CC(C)(C(=O)OCCO)C(C)(C)N
InChIInChI=1S/C12H26N2O3/c1-10(2,13)8-12(5,11(3,4)14)9(16)17-7-6-15/h15H,6-8,13-14H2,1-5H3
InChIKeyBZZURCHZPPBYPE-UHFFFAOYSA-N
XLogP0.39
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 87664752
2-(3-oxobutanoyloxy)ethyl 4-amino-2-tert-butyl-2,4-dimethylpentanoate
CID 144924237
4-O-[2-[2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoyl]oxyethyl] 1-O-methyl butanedioate
CID 163816956
methyl 4-amino-2-(1-amino-1-iodoethyl)-2,4-dimethylpentanoate
CID 137412560
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
1-O-(2-hydroxyethyl) 5-O-(2,2,2-tribromoethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 59343000
2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
CID 173486801
1-O-(2-hydroxyethyl) 3-O-octadecyl 2,2-dimethylpropanedioate
CID 153438657
2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 13278449

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate?
The IUPAC name of 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate (CID 123562825) is 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate.
What is the SMILES notation for 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate?
The canonical SMILES for 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate is CC(C)(N)CC(C)(C(=O)OCCO)C(C)(C)N.
What is the InChIKey of 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate?
The InChIKey is BZZURCHZPPBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-10(2,13)8-12(5,11(3,4)14)9(16)17-7-6-15/h15H,6-8,13-14H2,1-5H3.
What are the key properties of 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate?
2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate has a molecular weight of 246.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate is sourced from PubChem (CID 123562825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).