4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid

C13H25NO4 — CID 66251760

IUPAC4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)CCOC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-4-6-14(10(2)5-7-17-3)12-9-18-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLJGFALOKKXNILG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.22
Rot. Bonds8

About 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid

4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66251760) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66251760
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)CCOC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-4-6-14(10(2)5-7-17-3)12-9-18-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLJGFALOKKXNILG-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
CID 66251302
4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252056
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252141
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339
4-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]oxolane-3-carboxylic acid
CID 106991480
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid (CID 66251760) is 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(C)CCOC)C1COCC1C(=O)O.
What is the InChIKey of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LJGFALOKKXNILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-6-14(10(2)5-7-17-3)12-9-18-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid?
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).