(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 61421804

IUPAC(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-10-5-8-14(9-6-10)13(18)15-7-3-4-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyDCUYVJJLUKDMSC-NSHDSACASA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds2

About (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61421804) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61421804
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-10-5-8-14(9-6-10)13(18)15-7-3-4-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyDCUYVJJLUKDMSC-NSHDSACASA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
(2S)-1-(4-propylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78992815
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(4-ethoxypiperidine-1-carbonyl)azepane-2-carboxylic acid
CID 64564479
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
(2R)-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922708

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 61421804) is (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CCC1CCN(C(=O)N2CCC[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DCUYVJJLUKDMSC-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-10-5-8-14(9-6-10)13(18)15-7-3-4-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61421804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).