(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 61195285

IUPAC(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-7-12(4-2)11(16)13-8-5-6-9(13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyQHDSICZTERPDLM-VIFPVBQESA-N
MW228.29 g/mol
LogP1.39
Rot. Bonds4

About (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61195285) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61195285
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-7-12(4-2)11(16)13-8-5-6-9(13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyQHDSICZTERPDLM-VIFPVBQESA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922691
(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61184167
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
1-[butan-2-yl(ethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199849
(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61195285) is (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCCN(CC)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QHDSICZTERPDLM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7-12(4-2)11(16)13-8-5-6-9(13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61195285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).