5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C12H23NO4 — CID 62933567

IUPAC5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN(CCOC)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C12H23NO4/c1-5-13(6-7-17-4)10(14)8-12(2,3)9-11(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKeyLQZKOWLYLPKCOL-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.37
Rot. Bonds8

About 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933567) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933567
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN(CCOC)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C12H23NO4/c1-5-13(6-7-17-4)10(14)8-12(2,3)9-11(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKeyLQZKOWLYLPKCOL-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
5-[2-cyanoethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 63285346
2-(tert-butylamino)-N-ethyl-N-(2-methoxyethyl)acetamide
CID 112727456
5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933573
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933896
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79386395
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399
4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297807
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
5-[bis(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 55157304
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933567) is 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CCN(CCOC)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is LQZKOWLYLPKCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-13(6-7-17-4)10(14)8-12(2,3)9-11(15)16/h5-9H2,1-4H3,(H,15,16).
What are the key properties of 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).