4-(3-methylpentanoylamino)oxolane-3-carboxylic acid

C11H19NO4 — CID 114873780

IUPAC4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
SMILESCCC(C)CC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-7(2)4-10(13)12-9-6-16-5-8(9)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMQMQFMAYAHUJAR-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.64
Rot. Bonds5

About 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid

4-(3-methylpentanoylamino)oxolane-3-carboxylic acid (PubChem CID 114873780) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
PubChem CID114873780
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
SMILESCCC(C)CC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-7(2)4-10(13)12-9-6-16-5-8(9)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMQMQFMAYAHUJAR-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82961331
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
CID 66223983
4-(3-imidazol-1-ylhexanoylamino)oxolane-3-carboxylic acid
CID 66223101
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241550
4-[[ethyl(3-hydroxypropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 113468852
4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222270

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid (CID 114873780) is 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid is CCC(C)CC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid?
The InChIKey is MQMQFMAYAHUJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-7(2)4-10(13)12-9-6-16-5-8(9)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid?
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 114873780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).