5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid

C11H19NO5 — CID 118378502

IUPAC5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid
SMILESCCN(CC)C(=O)CC(CC(=O)O)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-4-12(5-2)9(13)6-8(7-10(14)15)11(16)17-3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyMIAWMWBAFVNSHQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.51
Rot. Bonds7

About 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid

5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid (PubChem CID 118378502) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid
PubChem CID118378502
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid
SMILESCCN(CC)C(=O)CC(CC(=O)O)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-4-12(5-2)9(13)6-8(7-10(14)15)11(16)17-3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyMIAWMWBAFVNSHQ-UHFFFAOYSA-N
XLogP0.51
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
4-(diethylamino)-2-ethyl-4-oxobutanoic acid
CID 112515205
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
N',N'-diethyl-2-(methylamino)butanediamide
CID 12695982
2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
CID 66430872
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
2-[2-(diethylamino)-2-oxoethyl]-6-methylheptanedioic acid
CID 87214370
3-[(dibenzylamino)methyl]-4-methoxy-4-oxobutanoic acid
CID 139720772
cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate
CID 58332881
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid?
The IUPAC name of 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid (CID 118378502) is 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid?
The canonical SMILES for 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid is CCN(CC)C(=O)CC(CC(=O)O)C(=O)OC.
What is the InChIKey of 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid?
The InChIKey is MIAWMWBAFVNSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-4-12(5-2)9(13)6-8(7-10(14)15)11(16)17-3/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid?
5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid is sourced from PubChem (CID 118378502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).