2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid

C12H20N2O3 — CID 81140304

IUPAC2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H20N2O3/c15-11(16)7-10-4-2-6-14(10)12(17)9-3-1-5-13-8-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m0/s1
InChIKeyZBCYJRHKATWYAD-RGURZIINSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds3

About 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid

2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid (PubChem CID 81140304) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
PubChem CID81140304
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H20N2O3/c15-11(16)7-10-4-2-6-14(10)12(17)9-3-1-5-13-8-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m0/s1
InChIKeyZBCYJRHKATWYAD-RGURZIINSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 81134562
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid (CID 81140304) is 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)[C@H]1CCCNC1.
What is the InChIKey of 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is ZBCYJRHKATWYAD-RGURZIINSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)7-10-4-2-6-14(10)12(17)9-3-1-5-13-8-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m0/s1.
What are the key properties of 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 81140304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).