3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid

C16H19NO4 — CID 66030337

IUPAC3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C16H19NO4/c18-15(17-13-6-5-11(8-13)16(19)20)12-7-10-3-1-2-4-14(10)21-9-12/h1-4,11-13H,5-9H2,(H,17,18)(H,19,20)
InChIKeyQDCRFSCPACLGKX-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.61
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid

3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030337) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID66030337
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2COc3ccccc3C2)C1
InChIInChI=1S/C16H19NO4/c18-15(17-13-6-5-11(8-13)16(19)20)12-7-10-3-1-2-4-14(10)21-9-12/h1-4,11-13H,5-9H2,(H,17,18)(H,19,20)
InChIKeyQDCRFSCPACLGKX-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
cis-(1S,3R)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 120676420
3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66033099
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 66030337) is 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2COc3ccccc3C2)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is QDCRFSCPACLGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(17-13-6-5-11(8-13)16(19)20)12-7-10-3-1-2-4-14(10)21-9-12/h1-4,11-13H,5-9H2,(H,17,18)(H,19,20).
What are the key properties of 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).