3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid

C15H23NO3 — CID 66031304

IUPAC3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CC2CCC1C2)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H23NO3/c17-14(8-12-6-9-1-2-10(12)5-9)16-13-4-3-11(7-13)15(18)19/h9-13H,1-8H2,(H,16,17)(H,18,19)
InChIKeyFXBFQPPCTIRLLP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.18
Rot. Bonds4

About 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66031304) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66031304
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CC2CCC1C2)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H23NO3/c17-14(8-12-6-9-1-2-10(12)5-9)16-13-4-3-11(7-13)15(18)19/h9-13H,1-8H2,(H,16,17)(H,18,19)
InChIKeyFXBFQPPCTIRLLP-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
CID 43652801
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 98727736
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
CID 106365961

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66031304) is 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CC1CC2CCC1C2)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FXBFQPPCTIRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(8-12-6-9-1-2-10(12)5-9)16-13-4-3-11(7-13)15(18)19/h9-13H,1-8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).