1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C14H26N2O5 — CID 106978343

IUPAC1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CC(O)COC
InChIInChI=1S/C14H26N2O5/c1-4-6-14(12(18)19)7-5-8-16(14)13(20)15(2)9-11(17)10-21-3/h11,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyLXNLOPOLKNGCNL-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.76
Rot. Bonds7

About 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978343) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978343
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CC(O)COC
InChIInChI=1S/C14H26N2O5/c1-4-6-14(12(18)19)7-5-8-16(14)13(20)15(2)9-11(17)10-21-3/h11,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyLXNLOPOLKNGCNL-UHFFFAOYSA-N
XLogP0.76
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978309
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978547
1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978545
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978445

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978343) is 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N(C)CC(O)COC.
What is the InChIKey of 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is LXNLOPOLKNGCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-4-6-14(12(18)19)7-5-8-16(14)13(20)15(2)9-11(17)10-21-3/h11,17H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).