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

C10H16N2O3 — CID 28509820

IUPAC(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)N1CCCC1
InChIInChI=1S/C10H16N2O3/c13-9(14)8-4-3-7-12(8)10(15)11-5-1-2-6-11/h8H,1-7H2,(H,13,14)/t8-/m0/s1
InChIKeyJEXXIZJVIRKSKT-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.75
Rot. Bonds1

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

(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28509820) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28509820
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)N1CCCC1
InChIInChI=1S/C10H16N2O3/c13-9(14)8-4-3-7-12(8)10(15)11-5-1-2-6-11/h8H,1-7H2,(H,13,14)/t8-/m0/s1
InChIKeyJEXXIZJVIRKSKT-QMMMGPOBSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423276
(2R)-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922708
(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 68756695
1-(1,4-oxazepane-4-carbonyl)piperidine-2-carboxylic acid
CID 62966759
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 107223995
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 28509820) is (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)N1CCCC1.
What is the InChIKey of (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JEXXIZJVIRKSKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(14)8-4-3-7-12(8)10(15)11-5-1-2-6-11/h8H,1-7H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28509820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).