2-cyclohexyl-2-pyrrolidin-1-ylacetic acid

C12H21NO2 — CID 43803517

IUPAC2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,14,15)
InChIKeyXMYUQXBCWNVDTP-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.12
Rot. Bonds3

About 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid

2-cyclohexyl-2-pyrrolidin-1-ylacetic acid (PubChem CID 43803517) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
PubChem CID43803517
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,14,15)
InChIKeyXMYUQXBCWNVDTP-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-3-yl)-2-piperidin-1-ylacetic acid
CID 63740251
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
2-cyclohexyl-2-(3-ethylazetidin-1-yl)acetic acid
CID 79694528
2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
CID 65419887
2-cyclohexyl-2-(3,3-dipropylazetidin-1-yl)acetic acid
CID 79695676
2-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetic acid
CID 107223469
2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
CID 61015441
(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetic acid
CID 20664167
2-cyclohexyl-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]acetic acid
CID 67642158
(2S)-1-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-cyclopropyl-2-pyrrolidin-1-ylethanone
CID 124856845

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid (CID 43803517) is 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid is O=C(O)C(C1CCCCC1)N1CCCC1.
What is the InChIKey of 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid?
The InChIKey is XMYUQXBCWNVDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h10-11H,1-9H2,(H,14,15).
What are the key properties of 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid?
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid has a molecular weight of 211.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 43803517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).