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

C14H24N2O3 — CID 55165966

IUPAC1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)CN(C(=O)N1CCC(C)(C(=O)O)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(2)8-16(11-4-5-11)13(19)15-7-6-14(3,9-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMWIYJAQBWNEUQP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds4

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

1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 55165966) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID55165966
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)CN(C(=O)N1CCC(C)(C(=O)O)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(2)8-16(11-4-5-11)13(19)15-7-6-14(3,9-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyMWIYJAQBWNEUQP-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564
1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147117
1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146947
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136781
2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 106320560
1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136275
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124086
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 55165966) is 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC(C)CN(C(=O)N1CCC(C)(C(=O)O)C1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MWIYJAQBWNEUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)8-16(11-4-5-11)13(19)15-7-6-14(3,9-15)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).