(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 55150970

IUPAC(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-2-10-6-3-4-8-14(10)13(18)15-9-5-7-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyITWMKQXSIXIZJL-RRKGBCIJSA-N
MW254.33 g/mol
LogP1.92
Rot. Bonds2

About (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 55150970) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID55150970
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-2-10-6-3-4-8-14(10)13(18)15-9-5-7-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t10?,11-/m1/s1
InChIKeyITWMKQXSIXIZJL-RRKGBCIJSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425231
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
(2S)-1-(2-ethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61196770
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780738
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
1-(2-ethylazepan-1-yl)ethanone
CID 115642380

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 55150970) is (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CCC1CCCCN1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ITWMKQXSIXIZJL-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-10-6-3-4-8-14(10)13(18)15-9-5-7-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).