2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid

C11H20N2O2 — CID 22147546

IUPAC2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid
SMILESO=C(O)CC1CNC(C2CCCC2)NC1
InChIInChI=1S/C11H20N2O2/c14-10(15)5-8-6-12-11(13-7-8)9-3-1-2-4-9/h8-9,11-13H,1-7H2,(H,14,15)
InChIKeyVKACXNMDSLRXGG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds3

About 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid

2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid (PubChem CID 22147546) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid
PubChem CID22147546
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid
SMILESO=C(O)CC1CNC(C2CCCC2)NC1
InChIInChI=1S/C11H20N2O2/c14-10(15)5-8-6-12-11(13-7-8)9-3-1-2-4-9/h8-9,11-13H,1-7H2,(H,14,15)
InChIKeyVKACXNMDSLRXGG-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115020771
azane;2-cyclohexylacetic acid;iron
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potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-[(3S,6S)-6-(trifluoromethyl)piperidin-3-yl]acetic acid
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2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
CID 121313483
2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
(3aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrole;oxalic acid
CID 67720271
2-[6,9-bis(carboxymethyl)-1,6-diazecan-3-yl]acetic acid
CID 167250780

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid?
The IUPAC name of 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid (CID 22147546) is 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid is O=C(O)CC1CNC(C2CCCC2)NC1.
What is the InChIKey of 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid?
The InChIKey is VKACXNMDSLRXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-10(15)5-8-6-12-11(13-7-8)9-3-1-2-4-9/h8-9,11-13H,1-7H2,(H,14,15).
What are the key properties of 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid?
2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid is sourced from PubChem (CID 22147546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).