1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 63149603

IUPAC1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N(CCOC)C2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(17)18)6-7-15(10-14)13(19)16(8-9-20-2)11-4-5-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyQFSCKLPYLQCAMT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds6

About 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63149603) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63149603
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N(CCOC)C2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(17)18)6-7-15(10-14)13(19)16(8-9-20-2)11-4-5-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyQFSCKLPYLQCAMT-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124086
3-ethyl-1-[2-methoxyethyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147459
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147465
N-cyclopropyl-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 115589086
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071063
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978309
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
2-[1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658697

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63149603) is 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N(CCOC)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is QFSCKLPYLQCAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(12(17)18)6-7-15(10-14)13(19)16(8-9-20-2)11-4-5-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).