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

C10H17NO3 — CID 103231164

IUPAC5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNCC2CC2)O1
InChIInChI=1S/C10H17NO3/c12-10(13)9-4-3-8(14-9)6-11-5-7-1-2-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyZMBWTVMUJXDORO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds5

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

5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103231164) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103231164
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNCC2CC2)O1
InChIInChI=1S/C10H17NO3/c12-10(13)9-4-3-8(14-9)6-11-5-7-1-2-7/h7-9,11H,1-6H2,(H,12,13)
InChIKeyZMBWTVMUJXDORO-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[(3-cyclopropylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103267996
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]oxolane-2-carboxylic acid
CID 106149085
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
5-[[2-(3-methylcyclohexyl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103252796
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid (CID 103231164) is 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CNCC2CC2)O1.
What is the InChIKey of 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is ZMBWTVMUJXDORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)9-4-3-8(14-9)6-11-5-7-1-2-7/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid?
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103231164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).