3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C16H20N2O3 — CID 66030616

IUPAC3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc2c(c1)CCC2)NC1CCC(C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c19-15(20)12-5-7-14(9-12)18-16(21)17-13-6-4-10-2-1-3-11(10)8-13/h4,6,8,12,14H,1-3,5,7,9H2,(H,19,20)(H2,17,18,21)
InChIKeyICERUIWCPVHNTE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.55
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030616) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030616
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc2c(c1)CCC2)NC1CCC(C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c19-15(20)12-5-7-14(9-12)18-16(21)17-13-6-4-10-2-1-3-11(10)8-13/h4,6,8,12,14H,1-3,5,7,9H2,(H,19,20)(H2,17,18,21)
InChIKeyICERUIWCPVHNTE-UHFFFAOYSA-N
XLogP2.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
CID 166229686
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66030616) is 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(Nc1ccc2c(c1)CCC2)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ICERUIWCPVHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)12-5-7-14(9-12)18-16(21)17-13-6-4-10-2-1-3-11(10)8-13/h4,6,8,12,14H,1-3,5,7,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).