(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid

C13H22N2O3 — CID 66264088

IUPAC(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCNC1
InChIInChI=1S/C13H22N2O3/c1-2-13(6-7-14-9-13)12(18)15-8-4-3-5-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyNXMLOWYUTRMXKR-NKUHCKNESA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds3

About (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66264088) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID66264088
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCNC1
InChIInChI=1S/C13H22N2O3/c1-2-13(6-7-14-9-13)12(18)15-8-4-3-5-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyNXMLOWYUTRMXKR-NKUHCKNESA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
4-(3-ethylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904914
1-(3-propylpyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 63140050
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 65320934
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid (CID 66264088) is (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid is CCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCNC1.
What is the InChIKey of (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is NXMLOWYUTRMXKR-NKUHCKNESA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(6-7-14-9-13)12(18)15-8-4-3-5-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).