6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid

C16H21NO4 — CID 43241983

IUPAC6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO4/c18-15(19)8-2-1-5-9-17-16(20)13-10-12-6-3-4-7-14(12)21-11-13/h3-4,6-7,13H,1-2,5,8-11H2,(H,17,20)(H,18,19)
InChIKeyGXOYSSQTZAJFGV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds7

About 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid

6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid (PubChem CID 43241983) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
PubChem CID43241983
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H21NO4/c18-15(19)8-2-1-5-9-17-16(20)13-10-12-6-3-4-7-14(12)21-11-13/h3-4,6-7,13H,1-2,5,8-11H2,(H,17,20)(H,18,19)
InChIKeyGXOYSSQTZAJFGV-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003902
10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
CID 150575494
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid?
The IUPAC name of 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid (CID 43241983) is 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)C1COc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid?
The InChIKey is GXOYSSQTZAJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(19)8-2-1-5-9-17-16(20)13-10-12-6-3-4-7-14(12)21-11-13/h3-4,6-7,13H,1-2,5,8-11H2,(H,17,20)(H,18,19).
What are the key properties of 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid?
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid is sourced from PubChem (CID 43241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).