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

C16H19NO4 — CID 64814303

IUPAC2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)C1COc2ccccc2C1
InChIInChI=1S/C16H19NO4/c18-15(17-13-6-3-5-12(13)16(19)20)11-8-10-4-1-2-7-14(10)21-9-11/h1-2,4,7,11-13H,3,5-6,8-9H2,(H,17,18)(H,19,20)
InChIKeyALYMEHNIECIXOL-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.61
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64814303) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID64814303
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)C1COc2ccccc2C1
InChIInChI=1S/C16H19NO4/c18-15(17-13-6-3-5-12(13)16(19)20)11-8-10-4-1-2-7-14(10)21-9-11/h1-2,4,7,11-13H,3,5-6,8-9H2,(H,17,18)(H,19,20)
InChIKeyALYMEHNIECIXOL-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-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 79886091
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 64814303) is 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)C1COc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ALYMEHNIECIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(17-13-6-3-5-12(13)16(19)20)11-8-10-4-1-2-7-14(10)21-9-11/h1-2,4,7,11-13H,3,5-6,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid?
2-(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 2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).