5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid

C10H17NO3 — CID 103249911

IUPAC5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CC1NCC1CCC(C(=O)O)O1
InChIInChI=1S/C10H17NO3/c1-6-4-8(6)11-5-7-2-3-9(14-7)10(12)13/h6-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyIJBHSAUMWDMYFG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.62
Rot. Bonds4

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

5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 103249911) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID103249911
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC1CC1NCC1CCC(C(=O)O)O1
InChIInChI=1S/C10H17NO3/c1-6-4-8(6)11-5-7-2-3-9(14-7)10(12)13/h6-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyIJBHSAUMWDMYFG-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
5-[[(4-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103234012
2-methyl-N-[(5-methyloxolan-2-yl)methyl]cyclopropan-1-amine
CID 82835970
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[(3-methylpentan-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106330184
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
5-[[(2-ethylcyclopropyl)carbamoylamino]methyl]oxolane-2-carboxylic acid
CID 114108984
5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[[2-(3-methylcyclohexyl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103252796

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid (CID 103249911) is 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid is CC1CC1NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is IJBHSAUMWDMYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-4-8(6)11-5-7-2-3-9(14-7)10(12)13/h6-9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103249911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).