(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

C14H24N2O3 — CID 106975422

IUPAC(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O3/c1-2-7-14(8-5-9-15-14)13(19)16-10-4-3-6-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyGEQBBPKNNIPTJK-ZSOXZCCMSA-N
MW268.36 g/mol
LogP1.37
Rot. Bonds4

About (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 106975422) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID106975422
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O3/c1-2-7-14(8-5-9-15-14)13(19)16-10-4-3-6-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyGEQBBPKNNIPTJK-ZSOXZCCMSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
N-methyl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 106974725
(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974847
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974816
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
N-ethyl-4-(2-propylpyrrolidine-2-carbonyl)morpholine-3-carboxamide
CID 106975697
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975090

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid (CID 106975422) is (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is CCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCCN1.
What is the InChIKey of (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is GEQBBPKNNIPTJK-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-7-14(8-5-9-15-14)13(19)16-10-4-3-6-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)/t11-,14?/m0/s1.
What are the key properties of (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 106975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).