4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 106974816

IUPAC4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CC(OC)CC2C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O4/c1-3-5-14(6-4-7-15-14)13(19)16-9-10(20-2)8-11(16)12(17)18/h10-11,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyDFFJJKBVOKXLPE-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.61
Rot. Bonds5

About 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 106974816) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID106974816
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CC(OC)CC2C(=O)O)CCCN1
InChIInChI=1S/C14H24N2O4/c1-3-5-14(6-4-7-15-14)13(19)16-9-10(20-2)8-11(16)12(17)18/h10-11,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyDFFJJKBVOKXLPE-UHFFFAOYSA-N
XLogP0.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106974847
4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63128767
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106975639
N-methyl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 106974725
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
ethyl 4-(2-propylpyrrolidine-2-carbonyl)thiomorpholine-3-carboxylate
CID 106974572
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 106974816) is 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is CCCC1(C(=O)N2CC(OC)CC2C(=O)O)CCCN1.
What is the InChIKey of 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DFFJJKBVOKXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-5-14(6-4-7-15-14)13(19)16-9-10(20-2)8-11(16)12(17)18/h10-11,15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106974816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).