(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H23N3O3 — CID 104931163

IUPAC(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23N3O3/c1-9-8-15(2)7-5-10(9)14-13(19)16-6-3-4-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyCBYPKDWWVKRHFP-VQXHTEKXSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds2

About (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 104931163) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID104931163
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23N3O3/c1-9-8-15(2)7-5-10(9)14-13(19)16-6-3-4-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyCBYPKDWWVKRHFP-VQXHTEKXSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63998601
(2R)-1-[(2,3-dimethylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79001469
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650
1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114505769
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 51980118
(2S)-1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201651

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 104931163) is (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CN(C)CCC1NC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CBYPKDWWVKRHFP-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-8-15(2)7-5-10(9)14-13(19)16-6-3-4-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104931163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).