4-[acetyl(propyl)amino]oxolane-3-carboxylic acid

C10H17NO4 — CID 66257984

IUPAC4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-4-11(7(2)12)9-6-15-5-8(9)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyNBNXHNVUMNSBFC-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds4

About 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid

4-[acetyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66257984) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66257984
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-4-11(7(2)12)9-6-15-5-8(9)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyNBNXHNVUMNSBFC-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[[2-cyanoethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66251544
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 103930132

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid (CID 66257984) is 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(C)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NBNXHNVUMNSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-4-11(7(2)12)9-6-15-5-8(9)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid?
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66257984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).