3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid

C15H17NO5 — CID 64889234

IUPAC3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)C1CCOc2ccccc21
InChIInChI=1S/C15H17NO5/c17-13(16-15(14(18)19)6-8-20-9-15)11-5-7-21-12-4-2-1-3-10(11)12/h1-4,11H,5-9H2,(H,16,17)(H,18,19)
InChIKeySYMCSGKLUOKFTR-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.91
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid

3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 64889234) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
PubChem CID64889234
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)C1CCOc2ccccc21
InChIInChI=1S/C15H17NO5/c17-13(16-15(14(18)19)6-8-20-9-15)11-5-7-21-12-4-2-1-3-10(11)12/h1-4,11H,5-9H2,(H,16,17)(H,18,19)
InChIKeySYMCSGKLUOKFTR-UHFFFAOYSA-N
XLogP0.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892065
N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 106297206
4-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542145
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
3-(3,4-dihydro-2H-chromene-2-carbonylamino)oxane-3-carboxylic acid
CID 166287545

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid (CID 64889234) is 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)C1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is SYMCSGKLUOKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-13(16-15(14(18)19)6-8-20-9-15)11-5-7-21-12-4-2-1-3-10(11)12/h1-4,11H,5-9H2,(H,16,17)(H,18,19).
What are the key properties of 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid?
3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64889234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).