2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate

C11H21NO4 — CID 22892686

IUPAC2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
SMILESCCC(CCC(C)C(N)=O)C(=O)OCCO
InChIInChI=1S/C11H21NO4/c1-3-9(11(15)16-7-6-13)5-4-8(2)10(12)14/h8-9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyCQPSQCVNQDEORF-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.45
Rot. Bonds8

About 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate

2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate (PubChem CID 22892686) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate.

Molecular Properties

Compound Name2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
PubChem CID22892686
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
SMILESCCC(CCC(C)C(N)=O)C(=O)OCCO
InChIInChI=1S/C11H21NO4/c1-3-9(11(15)16-7-6-13)5-4-8(2)10(12)14/h8-9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyCQPSQCVNQDEORF-UHFFFAOYSA-N
XLogP0.45
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethoxycarbonyl)-2-methylhexanoic acid
CID 176620602
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
1-O-(2-hydroxyethyl) 5-O-methyl 2-ethyl-4-methylpentanedioate
CID 22892400
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
2-[4,6-dicarboxy-2-ethyl-9-(2-hydroxyethoxy)-8-methyl-9-oxononanoyl]oxyethyl-trimethylphosphanium
CID 121284816
2-[4-carboxy-2-ethyl-7-(2-hydroxyethoxy)-6-methyl-7-oxoheptanoyl]oxyethyl-trimethylphosphanium
CID 121284810
2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
CID 19879658
2-hydroxyethyl 2-propylhexanoate
CID 58491956
5-[2-(2-hydroxyethoxy)ethoxycarbonyl]heptanoic acid
CID 174815262
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
5-amino-2-methylhexanamide
CID 71433088

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate?
The IUPAC name of 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate (CID 22892686) is 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate.
What is the SMILES notation for 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate?
The canonical SMILES for 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate is CCC(CCC(C)C(N)=O)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate?
The InChIKey is CQPSQCVNQDEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-9(11(15)16-7-6-13)5-4-8(2)10(12)14/h8-9,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate?
2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate has a molecular weight of 231.29 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate is sourced from PubChem (CID 22892686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).