5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid

C9H17NO4 — CID 64973972

IUPAC5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCONC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C9H17NO4/c1-4-14-10-7(11)5-9(2,3)6-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyRCLHPTCYTXALGB-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.95
Rot. Bonds6

About 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid

5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 64973972) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID64973972
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCONC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C9H17NO4/c1-4-14-10-7(11)5-9(2,3)6-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyRCLHPTCYTXALGB-UHFFFAOYSA-N
XLogP0.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Tert-butoxy)carbamoyl]butanoic acid
CID 82719848
3,3-Dimethyl-5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid
CID 82706661
3-Methyl-5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid
CID 82706662
5-Amino-3,3-dimethyl-5-oxopentanoic acid
CID 21927987
Methyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate
CID 117997496
5-(Hydroxyamino)-3,3-dimethyl-5-oxopentanoic acid
CID 141213898
5-(Hydroxyamino)-5-oxopentanoic acid;pentane
CID 158214460
2-[1-[2-(Ethoxyamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 64973986
5-(Ethoxyamino)-5-oxopentanoic acid
CID 64974015
5-(Ethoxyamino)-3-methyl-5-oxopentanoic acid
CID 64974046
5-(Methoxyamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64974120
5-(Methoxyamino)-5-oxopentanoic acid
CID 64974146

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid (CID 64973972) is 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid is CCONC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RCLHPTCYTXALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-10-7(11)5-9(2,3)6-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxyamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 64973972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).