1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 61443374

IUPAC1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCCCN(C(=O)N1CC(OC)CC1C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-3-4-7-15(10-5-6-10)14(19)16-9-11(20-2)8-12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyXWNVSKNWMVUNSH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.54
Rot. Bonds6

About 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 61443374) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID61443374
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCCCN(C(=O)N1CC(OC)CC1C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-3-4-7-15(10-5-6-10)14(19)16-9-11(20-2)8-12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyXWNVSKNWMVUNSH-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714639
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
1-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 63700451
1-(2-aminohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61159250
1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 103190203
4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63858464
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 61443374) is 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is CCCCN(C(=O)N1CC(OC)CC1C(=O)O)C1CC1.
What is the InChIKey of 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is XWNVSKNWMVUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-4-7-15(10-5-6-10)14(19)16-9-11(20-2)8-12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61443374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).