2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid

C13H23NO2 — CID 96603790

IUPAC2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN[C@@H]1C1CCCC1
InChIInChI=1S/C13H23NO2/c15-12(16)9-11-7-3-4-8-14-13(11)10-5-1-2-6-10/h10-11,13-14H,1-9H2,(H,15,16)/t11-,13-/m1/s1
InChIKeyMWBXLEAZEUPWNU-DGCLKSJQSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds3

About 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid

2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid (PubChem CID 96603790) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
PubChem CID96603790
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN[C@@H]1C1CCCC1
InChIInChI=1S/C13H23NO2/c15-12(16)9-11-7-3-4-8-14-13(11)10-5-1-2-6-10/h10-11,13-14H,1-9H2,(H,15,16)/t11-,13-/m1/s1
InChIKeyMWBXLEAZEUPWNU-DGCLKSJQSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclohexyl-3-(methoxymethyl)piperidine
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2-(10-bicyclo[4.3.1]decanyl)acetic acid
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2-(1,3-diazinan-2-yl)acetic acid
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2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid
CID 22147546
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide
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2-cyclononyl-4-oxoazonane-3,5-dicarboxylic acid
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2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
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16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid (CID 96603790) is 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid is O=C(O)C[C@H]1CCCCN[C@@H]1C1CCCC1.
What is the InChIKey of 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid?
The InChIKey is MWBXLEAZEUPWNU-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12(16)9-11-7-3-4-8-14-13(11)10-5-1-2-6-10/h10-11,13-14H,1-9H2,(H,15,16)/t11-,13-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid?
2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid is sourced from PubChem (CID 96603790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).