(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H25N3O3 — CID 104931998

IUPAC(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCC(CCNC(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-16-9-5-11(6-10-16)4-7-15-14(20)17-8-2-3-12(17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)/t12-/m1/s1
InChIKeyLKRHFDPSEOIBPK-GFCCVEGCSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds4

About (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 104931998) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID104931998
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCC(CCNC(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-16-9-5-11(6-10-16)4-7-15-14(20)17-8-2-3-12(17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)/t12-/m1/s1
InChIKeyLKRHFDPSEOIBPK-GFCCVEGCSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 104931998) is (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CN1CCC(CCNC(=O)N2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LKRHFDPSEOIBPK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16-9-5-11(6-10-16)4-7-15-14(20)17-8-2-3-12(17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104931998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).