1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid

C14H26N2O3 — CID 79491050

IUPAC1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-12(6-2)16(7-10(3)4)14(19)15-8-11(9-15)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyBAVLYYRYQVEFID-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid

1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 79491050) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID79491050
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-5-12(6-2)16(7-10(3)4)14(19)15-8-11(9-15)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyBAVLYYRYQVEFID-UHFFFAOYSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120208
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
CID 112662788
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150270
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719575
2-[2-methylpropyl(pentan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 79490717
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
CID 79488647
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 97159337
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862

Frequently Asked Questions

What is the IUPAC name of 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid (CID 79491050) is 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid is CCC(CC)N(CC(C)C)C(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is BAVLYYRYQVEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-12(6-2)16(7-10(3)4)14(19)15-8-11(9-15)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 79491050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).