1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid

C11H18N2O3 — CID 61158281

IUPAC1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H18N2O3/c14-10(8-4-3-6-12-8)13-7-2-1-5-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9?/m0/s1
InChIKeySLAIOWFNIOBWOP-IENPIDJESA-N
MW226.28 g/mol
LogP0.20
Rot. Bonds2

About 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid

1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 61158281) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID61158281
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H18N2O3/c14-10(8-4-3-6-12-8)13-7-2-1-5-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9?/m0/s1
InChIKeySLAIOWFNIOBWOP-IENPIDJESA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
(2-arsanylcarbonylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 173334366
[(2S)-2-arsanylcarbonylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 173334367
1,3-bis[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]imidazolidine-2-carboxylic acid
CID 11468881
(2R)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 132526338
2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]acetic acid
CID 175732650
1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 104912709
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid (CID 61158281) is 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is SLAIOWFNIOBWOP-IENPIDJESA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(8-4-3-6-12-8)13-7-2-1-5-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9?/m0/s1.
What are the key properties of 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid?
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61158281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).