cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid

C16H19NO3 — CID 120679080

IUPACcis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)C1CCc2ccccc21
InChIInChI=1S/C16H19NO3/c18-15(17-12-7-5-11(9-12)16(19)20)14-8-6-10-3-1-2-4-13(10)14/h1-4,11-12,14H,5-9H2,(H,17,18)(H,19,20)/t11-,12+,14?/m1/s1
InChIKeyYYFMMBKLAXYRDM-RJTITELWSA-N
MW273.33 g/mol
LogP2.09
Rot. Bonds3

About cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 120679080) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID120679080
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namecis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)C1CCc2ccccc21
InChIInChI=1S/C16H19NO3/c18-15(17-12-7-5-11(9-12)16(19)20)14-8-6-10-3-1-2-4-13(10)14/h1-4,11-12,14H,5-9H2,(H,17,18)(H,19,20)/t11-,12+,14?/m1/s1
InChIKeyYYFMMBKLAXYRDM-RJTITELWSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 119229646
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 77081814
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
(1R)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99949518
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
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2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid (CID 120679080) is cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)C1CCc2ccccc21.
What is the InChIKey of cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YYFMMBKLAXYRDM-RJTITELWSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(17-12-7-5-11(9-12)16(19)20)14-8-6-10-3-1-2-4-13(10)14/h1-4,11-12,14H,5-9H2,(H,17,18)(H,19,20)/t11-,12+,14?/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120679080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).