2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid

C12H23NO2 — CID 142749292

IUPAC2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid
SMILESCCCCC(CC[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-2-3-5-10(12(14)15)7-8-11-6-4-9-13-11/h10-11,13H,2-9H2,1H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyHRZPKYQKSRCTES-DTIOYNMSSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid

2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid (PubChem CID 142749292) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid
PubChem CID142749292
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid
SMILESCCCCC(CC[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-2-3-5-10(12(14)15)7-8-11-6-4-9-13-11/h10-11,13H,2-9H2,1H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyHRZPKYQKSRCTES-DTIOYNMSSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 174927837
CID 174927837
2-hydroxy-4-pyrrolidin-2-ylbutanoic acid
CID 175441511
CID 87702087
CID 87702087
(2S)-2-hexylpyrrolidine
CID 7047826
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
azane;2,7-dibutyloctanedioic acid
CID 174821009
N,2-diethyl-N-(piperidin-2-ylmethyl)hexanamide
CID 106626056
2-(pyrrolidin-2-ylmethoxy)pentanoic acid
CID 106939418
λ2-stannane;2-propylhexanoic acid
CID 174232814
ethane;2-propylpyrrolidine
CID 143349498
phosphane;2-propylhexanoic acid
CID 87429538
ethane;(2R)-2-propylpyrrolidine
CID 155717204

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid?
The IUPAC name of 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid (CID 142749292) is 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid.
What is the SMILES notation for 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid?
The canonical SMILES for 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid is CCCCC(CC[C@@H]1CCCN1)C(=O)O.
What is the InChIKey of 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid?
The InChIKey is HRZPKYQKSRCTES-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-5-10(12(14)15)7-8-11-6-4-9-13-11/h10-11,13H,2-9H2,1H3,(H,14,15)/t10?,11-/m0/s1.
What are the key properties of 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid?
2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid is sourced from PubChem (CID 142749292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).