3-(cyclopropylmethylamino)oxolane-3-carboxylic acid

C9H15NO3 — CID 63333220

IUPAC3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NCC2CC2)CCOC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(3-4-13-6-9)10-5-7-1-2-7/h7,10H,1-6H2,(H,11,12)
InChIKeyNHLKBEZVUXUCDN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.23
Rot. Bonds4

About 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid

3-(cyclopropylmethylamino)oxolane-3-carboxylic acid (PubChem CID 63333220) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
PubChem CID63333220
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NCC2CC2)CCOC1
InChIInChI=1S/C9H15NO3/c11-8(12)9(3-4-13-6-9)10-5-7-1-2-7/h7,10H,1-6H2,(H,11,12)
InChIKeyNHLKBEZVUXUCDN-UHFFFAOYSA-N
XLogP0.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
CID 63333038
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
1-(oxan-3-ylmethylamino)cyclopentane-1-carboxylic acid
CID 82238366
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930033
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 79328195

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid (CID 63333220) is 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid is O=C(O)C1(NCC2CC2)CCOC1.
What is the InChIKey of 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid?
The InChIKey is NHLKBEZVUXUCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)9(3-4-13-6-9)10-5-7-1-2-7/h7,10H,1-6H2,(H,11,12).
What are the key properties of 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid?
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 63333220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).