4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid

C15H25NO5 — CID 66246421

IUPAC4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CCC1CCCCO1)C1COCC1C(=O)O
InChIInChI=1S/C15H25NO5/c1-2-16(13-10-20-9-12(13)15(18)19)14(17)7-6-11-5-3-4-8-21-11/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyHJHWQXABKHJMPI-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.28
Rot. Bonds6

About 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66246421) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid
PubChem CID66246421
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CCC1CCCCO1)C1COCC1C(=O)O
InChIInChI=1S/C15H25NO5/c1-2-16(13-10-20-9-12(13)15(18)19)14(17)7-6-11-5-3-4-8-21-11/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyHJHWQXABKHJMPI-UHFFFAOYSA-N
XLogP1.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
CID 104555648
N-(2-aminoethyl)-N-cyclopropyl-3-(oxan-2-yl)propanamide
CID 63952702
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
CID 93332934
4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 66247506
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid (CID 66246421) is 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)CCC1CCCCO1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is HJHWQXABKHJMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-2-16(13-10-20-9-12(13)15(18)19)14(17)7-6-11-5-3-4-8-21-11/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).