1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 102782010

IUPAC1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCCCN(C(=O)N1CCC(C)C1C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-3-4-8-15(11-5-6-11)14(19)16-9-7-10(2)12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyWLGQFWDILBENEY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds5

About 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102782010) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102782010
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCCCN(C(=O)N1CCC(C)C1C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O3/c1-3-4-8-15(11-5-6-11)14(19)16-9-7-10(2)12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyWLGQFWDILBENEY-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672
(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714639
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782407
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782227
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781994

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102782010) is 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CCCCN(C(=O)N1CCC(C)C1C(=O)O)C1CC1.
What is the InChIKey of 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is WLGQFWDILBENEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-4-8-15(11-5-6-11)14(19)16-9-7-10(2)12(16)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).