5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine

C15H31NO5 — CID 174478924

IUPAC5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCCN(C(C)C)C(C)C.CCOC(=O)CC(O)CC(=O)O
InChIInChI=1S/C8H19N.C7H12O5/c1-6-9(7(2)3)8(4)5;1-2-12-7(11)4-5(8)3-6(9)10/h7-8H,6H2,1-5H3;5,8H,2-4H2,1H3,(H,9,10)
InChIKeySMPPJRSGNFGROA-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.90
Rot. Bonds8

About 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine

5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine (PubChem CID 174478924) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine
PubChem CID174478924
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCCN(C(C)C)C(C)C.CCOC(=O)CC(O)CC(=O)O
InChIInChI=1S/C8H19N.C7H12O5/c1-6-9(7(2)3)8(4)5;1-2-12-7(11)4-5(8)3-6(9)10/h7-8H,6H2,1-5H3;5,8H,2-4H2,1H3,(H,9,10)
InChIKeySMPPJRSGNFGROA-UHFFFAOYSA-N
XLogP1.90
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
6-ethoxy-3,4-bis(ethoxycarbonyl)-6-oxohexanoic acid
CID 18705246
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
ethyl (5R)-3-hydroxy-5-methylheptanoate
CID 11679950
ethyl 2-[ethyl(propan-2-yl)amino]butanoate
CID 64663080
[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 26730
ethyl 3-hydroxybutanoate;hexanedioic acid
CID 175499749
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 3-(dimethylamino)butanoate
CID 3020377
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine (CID 174478924) is 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine is CCN(C(C)C)C(C)C.CCOC(=O)CC(O)CC(=O)O.
What is the InChIKey of 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
The InChIKey is SMPPJRSGNFGROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H12O5/c1-6-9(7(2)3)8(4)5;1-2-12-7(11)4-5(8)3-6(9)10/h7-8H,6H2,1-5H3;5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine?
5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine has a molecular weight of 305.42 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174478924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).