5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid

C11H19NO3 — CID 103238552

IUPAC5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)O1)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(8-2-3-8)12-6-9-4-5-10(15-9)11(13)14/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyDAWVAXBFLZFYAR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds5

About 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid

5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103238552) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103238552
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
SMILESCC(NCC1CCC(C(=O)O)O1)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(8-2-3-8)12-6-9-4-5-10(15-9)11(13)14/h7-10,12H,2-6H2,1H3,(H,13,14)
InChIKeyDAWVAXBFLZFYAR-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270
5-[(1-methylsulfanylpropan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103266114
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103262784
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103263831
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[(hex-1-yn-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106231891
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid (CID 103238552) is 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid is CC(NCC1CCC(C(=O)O)O1)C1CC1.
What is the InChIKey of 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is DAWVAXBFLZFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(8-2-3-8)12-6-9-4-5-10(15-9)11(13)14/h7-10,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid?
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103238552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).