5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid

C10H19NO3 — CID 103231044

IUPAC5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
SMILESCC(C)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C10H19NO3/c1-7(2)5-11-6-8-3-4-9(14-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyCZPPEBFLIIZXCC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.86
Rot. Bonds5

About 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid

5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103231044) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103231044
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
SMILESCC(C)CNCC1CCC(C(=O)O)O1
InChIInChI=1S/C10H19NO3/c1-7(2)5-11-6-8-3-4-9(14-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyCZPPEBFLIIZXCC-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[(2-hydroxypentylamino)methyl]oxolane-2-carboxylic acid
CID 103268448
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[(2-ethylhexylamino)methyl]oxolane-2-carboxylic acid
CID 114004300
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
5-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid (CID 103231044) is 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid is CC(C)CNCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is CZPPEBFLIIZXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)5-11-6-8-3-4-9(14-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid?
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103231044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).