3-(methylphosphanylamino)oxolane-3-carboxylic acid

C6H12NO3P — CID 89260571

IUPAC3-(methylphosphanylamino)oxolane-3-carboxylic acid
SMILESCPNC1(C(=O)O)CCOC1
InChIInChI=1S/C6H12NO3P/c1-11-7-6(5(8)9)2-3-10-4-6/h7,11H,2-4H2,1H3,(H,8,9)
InChIKeyQRTHPPSOJYGKNO-UHFFFAOYSA-N
MW177.14 g/mol
LogP0.04
Rot. Bonds3

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

3-(methylphosphanylamino)oxolane-3-carboxylic acid (PubChem CID 89260571) has the molecular formula C6H12NO3P and a molecular weight of 177.14 g/mol. Its IUPAC name is 3-(methylphosphanylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(methylphosphanylamino)oxolane-3-carboxylic acid
PubChem CID89260571
Molecular FormulaC6H12NO3P
Molecular Weight177.14 g/mol
Exact Mass177.06
IUPAC Name3-(methylphosphanylamino)oxolane-3-carboxylic acid
SMILESCPNC1(C(=O)O)CCOC1
InChIInChI=1S/C6H12NO3P/c1-11-7-6(5(8)9)2-3-10-4-6/h7,11H,2-4H2,1H3,(H,8,9)
InChIKeyQRTHPPSOJYGKNO-UHFFFAOYSA-N
XLogP0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64892260
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
4-hydrazinyloxane-4-carboxylic acid
CID 154814519

Frequently Asked Questions

What is the IUPAC name of 3-(methylphosphanylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(methylphosphanylamino)oxolane-3-carboxylic acid (CID 89260571) is 3-(methylphosphanylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(methylphosphanylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(methylphosphanylamino)oxolane-3-carboxylic acid is CPNC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(methylphosphanylamino)oxolane-3-carboxylic acid?
The InChIKey is QRTHPPSOJYGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO3P/c1-11-7-6(5(8)9)2-3-10-4-6/h7,11H,2-4H2,1H3,(H,8,9).
What are the key properties of 3-(methylphosphanylamino)oxolane-3-carboxylic acid?
3-(methylphosphanylamino)oxolane-3-carboxylic acid has a molecular weight of 177.14 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylphosphanylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 89260571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).