5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid

C16H19NO4 — CID 106892442

IUPAC5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)O1)C1Cc2ccccc2C1
InChIInChI=1S/C16H19NO4/c18-15(12-7-10-3-1-2-4-11(10)8-12)17-9-13-5-6-14(21-13)16(19)20/h1-4,12-14H,5-9H2,(H,17,18)(H,19,20)
InChIKeyWWZRFBGFSSPXLF-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.15
Rot. Bonds4

About 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid

5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 106892442) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
PubChem CID106892442
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)O1)C1Cc2ccccc2C1
InChIInChI=1S/C16H19NO4/c18-15(12-7-10-3-1-2-4-11(10)8-12)17-9-13-5-6-14(21-13)16(19)20/h1-4,12-14H,5-9H2,(H,17,18)(H,19,20)
InChIKeyWWZRFBGFSSPXLF-UHFFFAOYSA-N
XLogP1.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 114226212
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid
CID 103239441
5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
CID 104855853
5-[(2-ethylanilino)methyl]oxolane-2-carboxylic acid
CID 103235884
5-[(1,2,4-benzotriazin-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 103203816
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894271
5-[[(2-bromo-3-methylbenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 107981508
5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 115287506
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid (CID 106892442) is 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid is O=C(NCC1CCC(C(=O)O)O1)C1Cc2ccccc2C1.
What is the InChIKey of 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is WWZRFBGFSSPXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(12-7-10-3-1-2-4-11(10)8-12)17-9-13-5-6-14(21-13)16(19)20/h1-4,12-14H,5-9H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid?
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106892442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).